Category: amides-buliding-blocks

Wang, Zi-Qiang published the artcileElectrochemical Synthesis of 3,5-Disubstituted-1,2,4-thiadiazoles through NH4I-Mediated Dimerization of Thioamides, Recommanded Product: 4-Butylthiobenzamide, the main research area is thiadiazole disubstituted preparation electrochem; thioamide oxidative dimerization ammonium iodide electrolyte catalyst.

A electrochem. method for the synthesis of 3,5-disubstituted-1,2,4-thiadiazoles through NH4I-mediated dimerization of thioamides is reported. Using the inexpensive NH4I as electrolyte and catalyst, this electrosynthesis approach requires no oxidizing agents and enables the convenient production of diverse 1,2,4-thiadiazole products. The approach is an example of S-N bond construction through the electrochem. method.

Advanced Synthesis & Catalysis published new progress about Bond formation (sulfur-nitrogen). 1208077-46-6 belongs to class amides-buliding-blocks, name is 4-Butylthiobenzamide, and the molecular formula is C11H15NS, Recommanded Product: 4-Butylthiobenzamide.

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

Henschel, Henning published the artcileTheoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields, SDS of cas: 123-39-7, the main research area is IR spectrum similarity force field database.

IR spectroscopy can provide significant insight into the structures and dynamics of mols. of all sizes. The information that is contained in the spectrum is, however, often not easily extracted without the aid of theor. calculations or simulations. We present here the calculation of the IR spectra of a database of 703 gas phase compounds with four different force fields (CGenFF, GAFF-BCC, GAFF-ESP, and OPLS) using normal-mode anal. Modern force fields increasingly use virtual sites to describe, e.g., lone-pair electrons or the σ-holes on halogen atoms. This requires some adaptation of code to perform normal-mode anal. of such compounds,the implementation of which into the GROMACS software is briefly described as well. For the quant. comparison of the obtained spectra with exptl. reference data, we discuss the application of two different statistical correlation coefficients, Pearson and Spearman. The advantages and drawbacks of the different methods of comparison are discussed, and we find that both methods of comparison give the same overall picture, showing that present force field methods cannot match the performance of quantum chem. methods for the calculation of IR spectra.

Journal of Chemical Theory and Computation published new progress about Alcohols Role: PRP (Properties). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, SDS of cas: 123-39-7.

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

Pros, Gabrielle J. published the artcileWhy Do N-Alkylated Anilides Bend Over? The Factors Dictating the Divergent Conformational Preferences of 2° and 3° N-Aryl Amides, Recommanded Product: N-Methylformamide, the main research area is divergent conformational preference aryl amide B3LYP.

The conformational preferences of 28 sterically and electronically diverse N-aryl amides were determined using d. functional theory (DFT), using the B3LYP functional and 6-31G(d) basis set. For each compound, both the cis and trans conformers were optimized, and the difference in ground state energy calculated For six of the compounds, the potential energy surface was determined as a function of rotation about the N-aryl bond (by 5° increments) for both cis and trans conformers. A natural bond orbital (NBO) deletion strategy was also employed to determine the extent of the contribution of conjugation to the energies of each of the conformers. By comparing these computational results with previously reported exptl. data, an explanation for the divergent conformational preferences of 2° N-aryl amides and 3° N-alkyl-N-aryl amides was formulated. This explanation accounts for the observed relationships of both steric and electronic factors determining the geometry of the optimum conformation, and the magnitude of the energetic difference between cis and trans conformers: except under the most extreme scenarios, 2° amides maintain a trans conformation, and the N-bound arene lies in the same plane as the amide unless it has ortho substituents; for 3° N-alkyl-N-aryl amides in which the alkyl and aryl substituents are connected in a small ring, trans conformations are also favored, for most cases other than formamides, and the arene and amide remain in conjugation; and for 3° N-alkyl-N-aryl amides in which the alkyl and aryl substituents are not connected in a small ring, allylic strain between the two N-bound substituents forces the aryl substituent to rotate out of the plane of the amide, and the trans conformation is destabilized with respect to the cis conformation due to repulsion between the π system of the arene and the lone pairs on the oxygen atom of the carbonyl. The cis conformation is increasingly more stable than the trans conformation as electron d. is increased on the arene because the more electron-rich arenes adopt a more orthogonal arrangement, increasing the interaction with the carbonyl oxygen, while simultaneously increasing the magnitude of the repulsion due to the increased electron d. in the π system. The trans conformation is favored for 2° amides even when the arene is orthogonal to the amide, in nearly all cases, because the C-N-C bond angle can expend at the expense of the C-N-H bond angles, while this is not favorable for 3° amides.

Journal of Physical Chemistry A published new progress about Anilides Role: PRP (Properties). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

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

He, Kan published the artcileIdentification of the Heme-Modified Peptides from Cumene Hydroperoxide-Inactivated Cytochrome P450 3A4, Related Products of amides-buliding-blocks, the main research area is cytochrome P450 3A4 heme peptide cumene hydroperoxide inactivation.

Cumene hydroperoxide-mediated (CuOOH-mediated) inactivation of cytochromes P 450 (CYPs) results in destruction of their prosthetic heme to reactive fragments that irreversibly bind to the protein. We have attempted to characterize this process structurally, using purified, 14C-heme labeled, recombinant human liver P 450 3A4 as the target of CuOOH-mediated inactivation, and a battery of protein characterization approaches [chem. (CNBr) and proteolytic (lysylendopeptidase-C) digestion, HPLC-peptide mapping, microEdman sequencing, and mass spectrometric analyses]. The heme-peptide adducts isolated after CNBr/lysylendopeptidase-C digestion of the CuOOH-inactivated P 450 3A4 pertain to two distinct P 450 3A4 active site domains. One of the peptides isolated corresponds to the proximal helix L/Cys-region peptide 429-450 domain and the others to the K-region (peptide 359-386 domain). Although the precise residue(s) targeted remain to be identified, we have narrowed down the region of attack to within a 17 amino acid peptide (429-445) stretch of the 55-amino acid proximal helix L/Cys domain. Furthermore, although the exact structures of the heme-modifying fragments and the nature of the adduction remain to be established conclusively, the incremental masses of ≈ 302 and 314 Da detected by electrospray mass spectrometric analyses of the heme-modified peptides are consistent with a dipyrrolic heme fragment comprised of either pyrrole ring A-D or B-C, a known soluble product of peroxidative heme degradation, as a modifying species.

Biochemistry published new progress about Enzyme functional sites, active. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Related Products of amides-buliding-blocks.

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

Wu, Nan published the artcileA Strategy for Amide to β-Oxo Ester Transformation via N-Alkenoxypyridinium Salts as the Activator and H2O as the Nucleophile, Name: N-Methylformamide, the main research area is amide alkenoxypyridinium salt water coupling; ester oxo preparation.

N-Alkenoxypyridinium salts were found to be highly active electrophilic reagents that could be used to activate the C-N bond of amides. Both aromatic amides and aliphatic amides could be transformed into the corresponding β-oxo esters with good yields via the combined use of N-alkenoxypyridinium salts and water. The methodol. proceeds under mild reaction conditions and is tolerant of various functional groups in both reaction partners.

Organic Letters published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Name: N-Methylformamide.

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

Zhao, Rong published the artcileActivated charcoal supported copper nanoparticles: A readily available and inexpensive heterogeneous catalyst for the N-arylation of primary amides and lactams with aryl iodides, Recommanded Product: 4-Methoxy-N-phenylbenzamide, the main research area is aryl benzamide preparation; primary amide aryl iodide Goldberg reaction copper catalyst; lactam aryl iodide Goldberg reaction copper catalyst.

A novel heterogeneous copper catalyst has been developed by supporting copper nanoparticles on activated charcoal via in situ reducing copper(II) with aqueous hydrazine as reductant. The characterization of Cu/C catalyst showed that the Cu0 nano-particles were formed on the surface of charcoal. This catalyst displayed good catalytic activities toward the N-arylation of primary amides RC(O)NH2 (R = Ph, pyridin-3-yl, 3-nitrophenyl, etc.) and lactams such as 3-morpholinone, 2-azaspiro[4.5]decan-1-one, 2-pyridinone with aryl iodides 4-R1C6H4I (R1 = H, OMe, Ac, Br, NO2).

Tetrahedron published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent). 7465-88-5 belongs to class amides-buliding-blocks, name is 4-Methoxy-N-phenylbenzamide, and the molecular formula is C14H13NO2, Recommanded Product: 4-Methoxy-N-phenylbenzamide.

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

Lei, Peng published the artcileProtocol for Palladium/N-Heterocyclic Carbene-Catalyzed Suzuki-Miyaura Cross-Coupling of Amides by N-C(O) Activation, Quality Control of 7465-88-5, the main research area is diaryl ketone green preparation; amide arylboronic acid Suzuki Miyaura cross coupling palladium catalyst.

A protocol for the Suzuki-Miyaura cross-coupling of amides by selective N-C(O) bond activation catalyzed by com. available, air- and moisture-stable palladium/N-heterocyclic carbene (NHC) complexes was described to obtain diaryl ketones ArC(O)Ar1 [Ar = Ph, 2-MeC6H4, 4-MeOC6H4, 4-CO2MeC6H4; Ar1 = Ph, 2-MeC6H4, 4-MeC6H4, 4-MeOC6H4, 4-CO2MeC6H4]. The procedure described involved [Pd(IPr)(cin)Cl] [IPr = 2,6-(diisopropylphenyl)imidazol-2-ylidene, cin = cinnamyl] at 0.10 mol% at room temperature and was performed on decagram scale. Furthermore, a procedure for the synthesis of amide starting materials was accomplished via selective N- tert-butoxycarbonylation, which was the preferred method over N-acylation. The present protocol carried advantages of operational simplicity, com. availability of catalysts and excellent conversions at low catalyst loadings. The method was generally useful for activation of N-C(O) amide bonds in a broad spectrum of amide precursors. The protocol should facilitate the implementation of amide cross-coupling reactions.

Synthesis published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent). 7465-88-5 belongs to class amides-buliding-blocks, name is 4-Methoxy-N-phenylbenzamide, and the molecular formula is C14H13NO2, Quality Control of 7465-88-5.

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

Jin, Hao published the artcileGeneral Construction of Thioamides under Mild Conditions: A Stepwise Proton Transfer Process Mediated by EDTA, Application of N-Methylformamide, the main research area is thioamide preparation green chem DFT; ester amide sulfur one pot coupling EDTA catalyst.

A general and clean method for the one-pot synthesis of thioamides, e.g., I, was investigated using a combination of experiments and quantum chem. calculations Esters RCH2OCHO (R = Pr, cyclohexyl, Ph, etc.), amides, e.g., 4-morpholinecarboxaldehyde and elemental sulfur were employed as starting materials and ethylene diamine tetraacetic acid (EDTA) as catalyst. Both alkyl and aryl thioamides with various functional groups were obtained in moderate to good yields. Neither transition metals nor external oxidants were required in this reaction. The catalytic performance of EDTA originates from a stepwise, proton transfer process in which EDTA transports a proton from the benzyl carbon to a sulfur atom. Such a process is concerted by discrete charge transfer such that the associated barrier gets lowered.

European Journal of Organic Chemistry published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application of N-Methylformamide.

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

Bonciolini, Stefano published the artcileA scalable continuous photochemical process for the generation of aminopropylsulfones, Recommanded Product: N-Methylformamide, the main research area is aminopropylsulfone preparation; amide vinyl sulfone coupling reaction tetrabutylammonium decatungstate photocatalyst.

An efficient continuous photochem. process that delivers a series of novel γ-aminopropylsulfones RSO2CH2CH2CH(R1)N(R2)C(O)R3 (R = Ph, Et; R1 = H, Me; R2 = Me, Et; R3 = H, Ph, cyclohexyl, etc.) and RSO2CH2CH2CH(O)NHMe via a tetrabutylammonium decatungstate (TBADT) catalyzed HAT-process is presented. Crucial to this success is the exploitation of a new high-power LED emitting at 365 nm that was found to be superior to an alternative medium-pressure Hg lamp. The resulting flow process enabled the scale-up of this transformation reaching throughputs of 20 mmol h-1 at substrate concentrations up to 500 mM. Addnl., the substrate scope of this transformation was evaluated demonstrating the straightforward incorporation of different amine substituents as well as alkyl appendages next to the sulfone moiety. It is anticipated that this methodol. will allow for further exploitations of these underrepresented γ-aminopropylsulfone scaffolds in the future.

Organic & Biomolecular Chemistry published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

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

Jin, Hao published the artcileTransition-Metal-Free, General Construction of Thioamides from Chlorohydrocarbon, Amide and Elemental Sulfur, Related Products of amides-buliding-blocks, the main research area is thioamide preparation; chlorohydrocarbon amide sulfur coupling three component reaction.

A general method for one-pot synthesis of thioamides is developed through a three-component reaction involving chlorohydrocarbon, amide and elemental sulfur. Such a strategy does not only avoid residual transition metal in the product but also prevent the generation of C-N coupling byproduct. The latter is prone to be generated when alkane halide and amine are present. With the protocol proposed in this work, both alkyl and aryl thioamides can be obtained in moderate to excellent yields with a high tolerance of various functional groups. External oxidants are not required in the reaction. In addition, the reaction mechanisms are addressed using a combination of controlling experiments and quantum chem. calculations

European Journal of Organic Chemistry published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent). 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Related Products of amides-buliding-blocks.

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