Category: amides-buliding-blocks

Alvarez-Mora, Iker et al. published their research in Environmental Pollution (Oxford, United Kingdom) in 2022 | CAS: 10238-21-8

5-Chloro-N-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)phenethyl)-2-methoxybenzamide (cas: 10238-21-8) belongs to amides. Amides can be viewed as a derivative of a carboxylic acid RC(=O)OH with the hydroxyl group –OH replaced by an amine group −NR′R″; or, equivalently, an acyl (alkanoyl) group RC(=O)− joined to an amine group. Amides can be freed from solvent or water by drying below their melting points. These purifications can also be used for sulfonamides and acid hydrazides.COA of Formula: C23H28ClN3O5S

Prioritization based on risk assessment to study the bioconcentration and biotransformation of pharmaceuticals in glass eels (Anguilla anguilla) from the Adour estuary (Basque Country, France) was written by Alvarez-Mora, Iker;Bolliet, Valerie;Lopez-Herguedas, Naroa;Castro, Lyen;Anakabe, Eneritz;Monperrus, Mathilde;Etxebarria, Nestor. And the article was included in Environmental Pollution (Oxford, United Kingdom) in 2022.COA of Formula: C23H28ClN3O5S This article mentions the following:

The presence of contaminants of emerging concern in the aquatic environment directly impacts water-living organisms and can alter their living functions. These compounds are often metabolized and excreted, but they can also be accumulated and spread through the food chain. The metabolized contaminants can also lead to the formation of new compounds with unknown toxicity and bioaccumulation potential. In this work, we have studied the occurrence, bioconcentration, and biotransformation of CECs in glass eels (Anguilla anguilla) using UHPLC-HRMS. To select the target CECs, we first carried out an environmental risk assessment of the WWTP effluent that releases directly into the Adour estuary (Bayonne, Basque Country, France). The risk quotients of every detected contaminant were calculated and three ecotoxicol. relevant contaminants were chosen to perform the exposure experiment: propranolol, diazepam, and irbesartan. An experiment of 14 days consisting of 7 days of exposure and 7 days of depuration was carried out to measure the bioconcentration of the chosen compounds The quant. results of the concentrations in glass eel showed that diazepam and irbesartan reached BCF ≈10 on day 7, but both compounds were eliminated after 7 days of depuration. On the other hand, propranolol′s concentration remains constant all along with the experiment, and its presence can be detected even in the non-exposed control group, which might suggest environmental contamination. Two addnl. suspect screening strategies were used to identify metabolization products of the target compounds and other xenobiotics already present in wild glass eels. Only one metabolite was identified, nordiazepam, a well-known diazepam metabolite, probably due to the low metabolic rate of glass eels at this stage. The xenobiotic screening confirmed the presence of more xenobiotics in wild glass eels, prominent among them, the pharmaceuticals exemestane, primidone, iloprost, and norethandrolone. In the experiment, the researchers used many compounds, for example, 5-Chloro-N-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)phenethyl)-2-methoxybenzamide (cas: 10238-21-8COA of Formula: C23H28ClN3O5S).

5-Chloro-N-(4-(N-(cyclohexylcarbamoyl)sulfamoyl)phenethyl)-2-methoxybenzamide (cas: 10238-21-8) belongs to amides. Amides can be viewed as a derivative of a carboxylic acid RC(=O)OH with the hydroxyl group –OH replaced by an amine group −NR′R″; or, equivalently, an acyl (alkanoyl) group RC(=O)− joined to an amine group. Amides can be freed from solvent or water by drying below their melting points. These purifications can also be used for sulfonamides and acid hydrazides.COA of Formula: C23H28ClN3O5S

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Patil, Nitin T. et al. published their research in Journal of Organic Chemistry in 2010 | CAS: 54166-95-9

6-Chloro-2-aminobenzamide (cas: 54166-95-9) belongs to amides. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Thus amides can participate in hydrogen bonding with water and other protic solvents; the oxygen atom can accept hydrogen bonds from water and the N–H hydrogen atoms can donate H-bonds. Amides are not in general accessible by the direct condensation of amines with carboxylic acids for two reasons: first, both components are readily deactivated by a transfer of a proton from the acid to the amine and second, the hydroxy unit on the carbonyl of the acid is a relatively poor leaving group. Nevertheless, the formation of five- and six-membered rings is often surprisingly simple provided that other factors can be brought into play to assist in the condensation.Name: 6-Chloro-2-aminobenzamide

Gold- and Platinum-Catalyzed Formal Markownikoff’s Double Hydroamination of Alkynes: A Rapid Access to Tetrahydroquinazolinones and Angularly-Fused Analogues Thereof was written by Patil, Nitin T.;Kavthe, Rahul D.;Raut, Vivek S.;Shinde, Valmik S.;Sridhar, Balasubramanian. And the article was included in Journal of Organic Chemistry in 2010.Name: 6-Chloro-2-aminobenzamide This article mentions the following:

A highly efficient gold(I)- and platinum(II)-catalyzed process for formal Markownikoff’s double hydroamination of alkynes tethered with hydroxyl group has been developed. The method was shown to be applicable to a broad range of 2-aminobenzamides and alkynols leading to the formation of multiply substituted tetrahydroquinazolinones. Interestingly, when Pt(IV)Cl4 catalyst was employed, cyclic angularly fused compound was obtained. In the experiment, the researchers used many compounds, for example, 6-Chloro-2-aminobenzamide (cas: 54166-95-9Name: 6-Chloro-2-aminobenzamide).

6-Chloro-2-aminobenzamide (cas: 54166-95-9) belongs to amides. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Thus amides can participate in hydrogen bonding with water and other protic solvents; the oxygen atom can accept hydrogen bonds from water and the N–H hydrogen atoms can donate H-bonds. Amides are not in general accessible by the direct condensation of amines with carboxylic acids for two reasons: first, both components are readily deactivated by a transfer of a proton from the acid to the amine and second, the hydroxy unit on the carbonyl of the acid is a relatively poor leaving group. Nevertheless, the formation of five- and six-membered rings is often surprisingly simple provided that other factors can be brought into play to assist in the condensation.Name: 6-Chloro-2-aminobenzamide

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Khoder, Zainab M. et al. published their research in ACS Catalysis in 2017 | CAS: 19311-91-2

N,N-Diethylsalicylamide (cas: 19311-91-2) belongs to amides. Amides include many other important biological compounds, as well as many drugs like paracetamol, penicillin and LSD. Low-molecular-weight amides, such as dimethylformamide, are common solvents. Amides are stable compounds. The lower-melting members (such as acetamide) can be readily purified by fractional distillation. Most amides are solids which have low solubilities in water.SDS of cas: 19311-91-2

Stereoselective Synthesis of Isoxazolidines via Copper-Catalyzed Alkene Diamination was written by Khoder, Zainab M.;Wong, Christina E.;Chemler, Sherry R.. And the article was included in ACS Catalysis in 2017.SDS of cas: 19311-91-2 This article mentions the following:

In the presence of copper(II) 2-ethylhexanoate, 2,6-di-tert-butyl-4-methylpyridine, and MnO2 in 1,2-dichloroethane, (homoallyloxy)carbamates and sulfonamides such as H2C:CHCH2CHPhONHCbz (Cbz = benzyloxycarbonyl) underwent diastereoselective diamination and cyclization reactions with sulfonamides such as TsNH2 (Ts = 4-MeC6H4SO2), arylamines, morpholine, piperidine, and benzamide (in some cases using N,N-diethylsalicylamide as a secondary ligand) to provide 3-(aminomethyl)isoxazolidines such as I in 34-92% yields and in 3:1->20:1 dr (where applicable). Unsaturated carbamates were good substrates for copper-catalyzed diamination. The mild reaction conditions allowed a variety of amines to be used in the diamination reaction. Two (sulfonamidomethyl)isoxazolidines were reduced to yield protected 3,4-diamino alcs. In the experiment, the researchers used many compounds, for example, N,N-Diethylsalicylamide (cas: 19311-91-2SDS of cas: 19311-91-2).

N,N-Diethylsalicylamide (cas: 19311-91-2) belongs to amides. Amides include many other important biological compounds, as well as many drugs like paracetamol, penicillin and LSD. Low-molecular-weight amides, such as dimethylformamide, are common solvents. Amides are stable compounds. The lower-melting members (such as acetamide) can be readily purified by fractional distillation. Most amides are solids which have low solubilities in water.SDS of cas: 19311-91-2

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Hahn, Veronika et al. published their research in Green Chemistry in 2010 | CAS: 50608-99-6

3-Aminopicolinamide (cas: 50608-99-6) belongs to amides. Because of the greater electronegativity of oxygen, the carbonyl (C=O) is a stronger dipole than the N–C dipole. The presence of a C=O dipole and, to a lesser extent a N–C dipole, allows amides to act as H-bond acceptors. Amides are not in general accessible by the direct condensation of amines with carboxylic acids for two reasons: first, both components are readily deactivated by a transfer of a proton from the acid to the amine and second, the hydroxy unit on the carbonyl of the acid is a relatively poor leaving group. Nevertheless, the formation of five- and six-membered rings is often surprisingly simple provided that other factors can be brought into play to assist in the condensation.Formula: C6H7N3O

Enzymatic cyclizations using laccases: Multiple bond formation between dihydroxybenzoic acid derivatives and aromatic amines was written by Hahn, Veronika;Davids, Timo;Lalk, Michael;Schauer, Frieder;Mikolasch, Annett. And the article was included in Green Chemistry in 2010.Formula: C6H7N3O This article mentions the following:

Oxidative C-N bond formation followed by cyclization of dihydroxybenzoic acid derivatives with aromatic and heteroaromatic amines was catalyzed in the presence of oxygen by laccases [E.C. 1.10.3.2] from the white rot fungi Pycnoporus cinnabarinus and Myceliophthora thermophila. The laccase-catalyzed formation of cycloheptenes, cyclooctenes, diazaspiro cyclohexenes, and phenazines was investigated for the first time with regard to the ring size and substituents of the aromatic amines as well as to the substitution patterns of the substrates. Differences to C-N bond formation without cyclization are discussed. In the experiment, the researchers used many compounds, for example, 3-Aminopicolinamide (cas: 50608-99-6Formula: C6H7N3O).

3-Aminopicolinamide (cas: 50608-99-6) belongs to amides. Because of the greater electronegativity of oxygen, the carbonyl (C=O) is a stronger dipole than the N–C dipole. The presence of a C=O dipole and, to a lesser extent a N–C dipole, allows amides to act as H-bond acceptors. Amides are not in general accessible by the direct condensation of amines with carboxylic acids for two reasons: first, both components are readily deactivated by a transfer of a proton from the acid to the amine and second, the hydroxy unit on the carbonyl of the acid is a relatively poor leaving group. Nevertheless, the formation of five- and six-membered rings is often surprisingly simple provided that other factors can be brought into play to assist in the condensation.Formula: C6H7N3O

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Pelishenko, S. S. et al. published their research in Vysokomolekulyarnye Soedineniya, Seriya A in 1971 | CAS: 5339-69-5

N-Isopropylbenzenesulfonamide (cas: 5339-69-5) belongs to amides. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Thus amides can participate in hydrogen bonding with water and other protic solvents; the oxygen atom can accept hydrogen bonds from water and the N–H hydrogen atoms can donate H-bonds. Ionic, or saltlike, amides are strongly alkaline compounds ordinarily made by treating ammonia, an amine, or a covalent amide with a reactive metal such as sodium.Formula: C9H13NO2S

Effect of heating, plasticizing, and filling on spherulite size distribution, and physical and mechanical properties of crystallizable polymers was written by Pelishenko, S. S.;Solomko, V. P.. And the article was included in Vysokomolekulyarnye Soedineniya, Seriya A in 1971.Formula: C9H13NO2S This article mentions the following:

Plasticization of crystallizing polyformaldehyde (I) (of mol. weight 60,000) with small amounts of Ph2NH and castor oil and of polycaprolactam (II) (of mol. weight 28,000) with N-isopropylbenzenesulfonamide and filling with kaolin and Aerosil led to improved physicomech. properties and spherulite size distribution. Addition of large amounts of plasticizers had the opposite effect. The flexural strength and impact strength of I increased following heat treatment at 160°. The spherulite size of I and II increased as the heat treatment temperature was raised from 140 to 160°. In the experiment, the researchers used many compounds, for example, N-Isopropylbenzenesulfonamide (cas: 5339-69-5Formula: C9H13NO2S).

N-Isopropylbenzenesulfonamide (cas: 5339-69-5) belongs to amides. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Thus amides can participate in hydrogen bonding with water and other protic solvents; the oxygen atom can accept hydrogen bonds from water and the N–H hydrogen atoms can donate H-bonds. Ionic, or saltlike, amides are strongly alkaline compounds ordinarily made by treating ammonia, an amine, or a covalent amide with a reactive metal such as sodium.Formula: C9H13NO2S

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Geng, Huihui et al. published their research in Nature Catalysis in 2019 | CAS: 13255-50-0

4-Formyl-N-isopropylbenzamide (cas: 13255-50-0) belongs to amides. Amides are pervasive in nature and technology. Proteins and important plastics like Nylons, Aramid, Twaron, and Kevlar are polymers whose units are connected by amide groups (polyamides); these linkages are easily formed, confer structural rigidity, and resist hydrolysis. Amides can be recrystallised from large quantities of water, ethanol, ethanol/ether, aqueous ethanol, chloroform/toluene, chloroform or acetic acid. The likely impurities are the parent acids or the alkyl esters from which they have been made. The former can be removed by thorough washing with aqueous ammonia followed by recrystallisation, whereas elimination of the latter is by trituration or recrystallisation from an organic solvent.Product Details of 13255-50-0

Practical synthesis of C1 deuterated aldehydes enabled by NHC catalysis was written by Geng, Huihui;Chen, Xiaobei;Gui, Jingjing;Zhang, Yueteng;Shen, Zuyuan;Qian, Pengfei;Chen, Junwei;Zhang, Shilei;Wang, Wei. And the article was included in Nature Catalysis in 2019.Product Details of 13255-50-0 This article mentions the following:

N-heterocyclic carbenes promoted a reversible hydrogen-deuterium exchange reaction with simple aldehydes, which led to a practical approach to synthetically valuable C1 deuterated aldehydes RC(O)D [R = Ph, Bn, CH=CHPh, etc.]. The reactivity of the well-established N-heterocyclic carbene-catalyzed formation of Breslow intermediates from aldehydes was reengineered to overcome the overwhelmingly kinetically favorable benzoin condensation reaction and achieve the critical reversibility to drive the formation of desired deuterated products when an excess of D2O was employed. Notably, this operationally simple and cost-effective protocol served as a general and truly practical approach to all types of 1-D-aldehydes including aryl, alkyl and alkenyl aldehydes and enabled chemoselective late-stage deuterium incorporation into complex, native therapeutic agents and natural products with uniformly high levels (>95%) of deuterium incorporation for a total of 104 tested substrates. In the experiment, the researchers used many compounds, for example, 4-Formyl-N-isopropylbenzamide (cas: 13255-50-0Product Details of 13255-50-0).

4-Formyl-N-isopropylbenzamide (cas: 13255-50-0) belongs to amides. Amides are pervasive in nature and technology. Proteins and important plastics like Nylons, Aramid, Twaron, and Kevlar are polymers whose units are connected by amide groups (polyamides); these linkages are easily formed, confer structural rigidity, and resist hydrolysis. Amides can be recrystallised from large quantities of water, ethanol, ethanol/ether, aqueous ethanol, chloroform/toluene, chloroform or acetic acid. The likely impurities are the parent acids or the alkyl esters from which they have been made. The former can be removed by thorough washing with aqueous ammonia followed by recrystallisation, whereas elimination of the latter is by trituration or recrystallisation from an organic solvent.Product Details of 13255-50-0

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Zhang, Weikang et al. published their research in Advanced Synthesis & Catalysis in 2018 | CAS: 119023-25-5

2-Amino-4-fluorobenzamide (cas: 119023-25-5) belongs to amides. Compared to amines, amides are very weak bases and do not have clearly defined acid–base properties in water. On the other hand, amides are much stronger bases than esters, aldehydes, and ketones. The presence of the amide group –C(=O)N– is generally easily established, at least in small molecules. It can be distinguished from nitro and cyano groups in IR spectra. Amides exhibit a moderately intense νCO band near 1650 cm−1. By 1H NMR spectroscopy, CONHR signals occur at low fields. In X-ray crystallography, the C(=O)N center together with the three immediately adjacent atoms characteristically define a plane.Category: amides-buliding-blocks

Auto-Tandem Catalysis with Ruthenium: From o-Aminobenzamides and Allylic Alcohols to Quinazolinones via Redox Isomerization/Acceptorless Dehydrogenation was written by Zhang, Weikang;Meng, Chong;Liu, Yan;Tang, Yawen;Li, Feng. And the article was included in Advanced Synthesis & Catalysis in 2018.Category: amides-buliding-blocks This article mentions the following:

A strategy for the synthesis of quinazolinones I [R = H, 7-Me, 6,8-di-Cl, etc.; R1 = Et, i-Pr, n-Bu, etc.; R2 = H, n-Bu, Bn] was proposed via Ru-catalyzed redox isomerization/acceptorless dehydrogenation of o-aminobenzamides with allylic alcs. and was obtained in moderate to high yields. This strategy was attractive due to high atom efficiency, minimal consumption of chems. and energy. In the experiment, the researchers used many compounds, for example, 2-Amino-4-fluorobenzamide (cas: 119023-25-5Category: amides-buliding-blocks).

2-Amino-4-fluorobenzamide (cas: 119023-25-5) belongs to amides. Compared to amines, amides are very weak bases and do not have clearly defined acid–base properties in water. On the other hand, amides are much stronger bases than esters, aldehydes, and ketones. The presence of the amide group –C(=O)N– is generally easily established, at least in small molecules. It can be distinguished from nitro and cyano groups in IR spectra. Amides exhibit a moderately intense νCO band near 1650 cm−1. By 1H NMR spectroscopy, CONHR signals occur at low fields. In X-ray crystallography, the C(=O)N center together with the three immediately adjacent atoms characteristically define a plane.Category: amides-buliding-blocks

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Rao, Bin et al. published their research in Organic Letters in 2016 | CAS: 226260-01-1

3-Fluoro-N-methoxy-N-methylbenzamide (cas: 226260-01-1) belongs to amides. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Thus amides can participate in hydrogen bonding with water and other protic solvents; the oxygen atom can accept hydrogen bonds from water and the N–H hydrogen atoms can donate H-bonds. Amides are stable compounds. The lower-melting members (such as acetamide) can be readily purified by fractional distillation. Most amides are solids which have low solubilities in water.Application In Synthesis of 3-Fluoro-N-methoxy-N-methylbenzamide

Synthesis of 2-Benzylphenyl Ketones by Aryne Insertion into Unactivated C-C Bonds was written by Rao, Bin;Tang, Jinghua;Zeng, Xiaoming. And the article was included in Organic Letters in 2016.Application In Synthesis of 3-Fluoro-N-methoxy-N-methylbenzamide This article mentions the following:

A transition-metal-free procedure to access functionalized 2-benzylphenyl ketones is described by direct insertion of arynes into benzylic C-C bonds. This reaction was promoted by cesium fluoride at room temperature, allowing the products to form in high selectivity and achieve good functional group tolerance. In the experiment, the researchers used many compounds, for example, 3-Fluoro-N-methoxy-N-methylbenzamide (cas: 226260-01-1Application In Synthesis of 3-Fluoro-N-methoxy-N-methylbenzamide).

3-Fluoro-N-methoxy-N-methylbenzamide (cas: 226260-01-1) belongs to amides. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Thus amides can participate in hydrogen bonding with water and other protic solvents; the oxygen atom can accept hydrogen bonds from water and the N–H hydrogen atoms can donate H-bonds. Amides are stable compounds. The lower-melting members (such as acetamide) can be readily purified by fractional distillation. Most amides are solids which have low solubilities in water.Application In Synthesis of 3-Fluoro-N-methoxy-N-methylbenzamide

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Bauer, Adriano et al. published their research in Angewandte Chemie, International Edition in 2020 | CAS: 116332-61-7

N-Methoxy-N-methyl-4-(trifluoromethyl)benzamide (cas: 116332-61-7) belongs to amides. Amides can be viewed as a derivative of a carboxylic acid RC(=O)OH with the hydroxyl group –OH replaced by an amine group −NR′R″; or, equivalently, an acyl (alkanoyl) group RC(=O)− joined to an amine group. Amides are stable compounds. The lower-melting members (such as acetamide) can be readily purified by fractional distillation. Most amides are solids which have low solubilities in water.HPLC of Formula: 116332-61-7

An α-Cyclopropanation of Carbonyl Derivatives by Oxidative Umpolung was written by Bauer, Adriano;Di Mauro, Giovanni;Li, Jing;Maulide, Nuno. And the article was included in Angewandte Chemie, International Edition in 2020.HPLC of Formula: 116332-61-7 This article mentions the following:

The reactivity of iodine(III) reagents towards nucleophiles is often associated with umpolung and cationic mechanisms. Herein, we report a general process converting a range of ketone derivatives into α-cyclopropanated ketones by oxidative umpolung [e.g., I → II (71%, d.r. > 95:5) + III (8%, d.r. > 95:5) in presence of PhIO.MsOH and BF3.OEt2]. Mechanistic investigation and careful characterization of side products revealed that the reaction follows an unexpected pathway and suggests the intermediacy of non-classical carbocations. In the experiment, the researchers used many compounds, for example, N-Methoxy-N-methyl-4-(trifluoromethyl)benzamide (cas: 116332-61-7HPLC of Formula: 116332-61-7).

N-Methoxy-N-methyl-4-(trifluoromethyl)benzamide (cas: 116332-61-7) belongs to amides. Amides can be viewed as a derivative of a carboxylic acid RC(=O)OH with the hydroxyl group –OH replaced by an amine group −NR′R″; or, equivalently, an acyl (alkanoyl) group RC(=O)− joined to an amine group. Amides are stable compounds. The lower-melting members (such as acetamide) can be readily purified by fractional distillation. Most amides are solids which have low solubilities in water.HPLC of Formula: 116332-61-7

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Samdal, Svein et al. published their research in Journal of Physical Chemistry A in 2015 | CAS: 58644-54-5

N-Cyclopropylformamide (cas: 58644-54-5) belongs to amides. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Thus amides can participate in hydrogen bonding with water and other protic solvents; the oxygen atom can accept hydrogen bonds from water and the N–H hydrogen atoms can donate H-bonds. Amides can be freed from solvent or water by drying below their melting points. These purifications can also be used for sulfonamides and acid hydrazides.Safety of N-Cyclopropylformamide

Conformational Properties of cis- and trans-N-Cyclopropylformamide Studied by Microwave Spectroscopy and Quantum Chemical Calculations was written by Samdal, Svein;Moellendal, Harald;Guillemin, Jean-Claude. And the article was included in Journal of Physical Chemistry A in 2015.Safety of N-Cyclopropylformamide This article mentions the following:

The microwave spectra of cis- and trans-N-cyclopropylformamide, C3H5NHC(=O)H, were studied in the 31-123 GHz spectral region at room temperature Rotational isomerism about the Cring-N bond is possible for both cis and trans. MP2/cc-pVTZ and CCSD/cc-pVTZ calculations indicate that there are two conformers in the case of cis, called Cis I and Cis II, while only one rotamer, denoted Trans, exists for trans-N-cyclopropylformamide. The quantum chem. methods predict that Cis I has an electronic energy that is 8-9 kJ/mol higher than the energy of Cis II. The CCSD H-Cring-N-H dihedral angle is 0.0° in Cis I, 93.0° in Cis II and 79.9° in Trans. The CCSD and MP2 calculations predict a slightly nonplanar structure for the amide moiety in both Trans and Cis II, whereas Cis I is computed to have a planar amide group bisecting the cyclopropyl ring. Surprisingly, the MP2 and CCSD methods predict practically the same energy for Trans and Cis II. The spectra of Cis II in the ground state and in two vibrationally excited states were assigned, while the spectrum of Cis I was not found presumably because of a low Boltzmann population due to a relatively large energy difference (8-9 kJ/mol). The spectra of the ground vibrational state and seven vibrationally excited states of Trans, were assigned. Vibrational frequencies of several of the excited state of both Cis II and Trans were determined by relative intensity measurements. The exptl. and CCSD rotational constants are in satisfactory agreement. The MP2 values of the quartic centrifugal distortion constants of both species are in relatively poor agreement with their exptl. counterparts. The MP2 vibration-rotation constants and sextic centrifugal distortion constants have little resemblance with the corresponding exptl. values. In the experiment, the researchers used many compounds, for example, N-Cyclopropylformamide (cas: 58644-54-5Safety of N-Cyclopropylformamide).

N-Cyclopropylformamide (cas: 58644-54-5) belongs to amides. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Thus amides can participate in hydrogen bonding with water and other protic solvents; the oxygen atom can accept hydrogen bonds from water and the N–H hydrogen atoms can donate H-bonds. Amides can be freed from solvent or water by drying below their melting points. These purifications can also be used for sulfonamides and acid hydrazides.Safety of N-Cyclopropylformamide

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics