Lemmerer, Andreas’s team published research in Acta Crystallographica, Section C: Structural Chemistry in 76 | CAS: 1453-82-3

Acta Crystallographica, Section C: Structural Chemistry published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, SDS of cas: 1453-82-3.

Lemmerer, Andreas published the artcileThe 2-Chloro-4-nitrobenzoic acid as a coformer with pharmaceutical cocrystals and molecular salts, SDS of cas: 1453-82-3, the publication is Acta Crystallographica, Section C: Structural Chemistry (2020), 76(8), 746-752, database is CAplus and MEDLINE.

A series of five binary complexes, i.e. three cocrystals and two mol. salts, using 2-chloro-4-nitrobenzoic acid as a coformer have been produced with five commonly available compounds, some of pharmaceutical relevance, namely, 2-chloro-4-nitrobenzoic acid-isonicotinamide (1/1), C7H4ClNO4·C6H6N2O, 2-chloro-4-nitrobenzoic acid-3,3-diethylpyridine-2,4(1H,3H)-dione (2/1), 2C7H4ClNO4·C9H13NO2, 2-chloro-4-nitrobenzoic acid-pyrrolidin-2-one (1/1), C7H4ClNO4·C4H7NO, 2-carboxypiperidinium 2-chloro-4-nitrobenzoate, C6H12NO2-·C7H3ClNO4-, and (2-hydroxyethyl)ammonium 2-chloro-4-nitrobenzoate, C2H8NO+·C7H3ClNO4-. The coformer falls under the classification of a generally regarded as safe compound All five complexes make use of a number of different heteromeric hydrogen-bonded interactions. Intermol. potentials were evaluated using the CSD-Materials module.

Acta Crystallographica, Section C: Structural Chemistry published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, SDS of cas: 1453-82-3.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Klosa, Josef’s team published research in Journal fuer Praktische Chemie (Leipzig) in 31 | CAS: 530-40-5

Journal fuer Praktische Chemie (Leipzig) published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H14N2O, Application In Synthesis of 530-40-5.

Klosa, Josef published the artcileSynthesis of carboxylic acid amides from carboxylic acids and amines by means of polyphosphoric acid, Application In Synthesis of 530-40-5, the publication is Journal fuer Praktische Chemie (Leipzig) (1966), 31(1-2), 41-8, database is CAplus.

4-Amino-1-phenyl-2,3-dimethyl-5-pyrazolone (I) (100 g.) and 62 g. nicotinic acid (II) added with stirring in portions at 100-10° to 300 g. polyphosphoric acid (III) and heated 1.5-2 hrs. at 160-80° gave 135-40 g. 4-(pyridine-3-carboxamido)-2,3-dimethyl-1-phenyl-5-pyrazolone (IV), m. 256-8°. I (100 g.) and 62 g. II treated with 300-400 g. III, heated with occasional stirring to 100-20° and then during 1-2 hrs. to 160-80°, poured into 1-2 l. H2O, and stirred 1-2 hrs. gave 145 g. IV. Similarly were prepared the following analogs of IV (4-substituent, m.p., and % yield given): pyridine-4-carboxamido, 273-5°, 90; 6-methylpyridine-2-carboxamido, 206-8°, 80; 4-methylpyridine-3-carboxamido, 248-60°, 65; 4-ethylpyridine-3-carboxamido, 240-2°, 70; 2,4-dimethylpyridine-3-carboxamido, 267-9° (MeOH), 75; 2,6-dimethyl-3-pyridinecarboxamido, 264-6° (MeOH), 85; 2-methylpyridine-5-carboxamido, >280° (decomposition), 78; 2-methylpyridine-4-carboxamido, >300° (decomposition), 70; 2,4,6-trimethylpyridine-3-carboxamido, >300° (decomposition with charring), 82; 2,3,4-trimethylpyridine-5-carboxamido, >300° (decomposition with charring), 80; 6-phenylpyridine-5-carboxamido, 270-2° (decomposition), 65; 2-methyl-6-phenylpyridine-3-carboxamido, >290° (decomposition), 65; 4-chloropyridine-2-carboxamido, >265-7° (decomposition), 65; 5-chloropyridine-2-carboxamido, >280° (decomposition), 75; 2-chloropyridine-3-carboxamido, from 260° (decomposition), 70; 3-chloropyridine-4-carboxamido, >300° (decomposition), 85; 4,6-dichloropyridine-2-carboxamido, from 250° (decomposition with browning), 68; 2,3-dichloropyridine-5-carboxamido, from 260° (decomposition and browning), 88; 2,6-dichloropyridine-4-carboxamido, >280°, 85; 2-hydroxypyridine-5-carboxamido, >300°, 65; 2-hydroxy-3-chloropyridine-5-carboxamido, >300° (decomposition), 60; 2-hydroxy-6-chloropyridine-4-carboxamido, from 270° (decomposition), 65; 2-phenylquinoline-4-carboxamido, 245-7°, 90; 2-phenyl-6-methoxyquinoline-4-carboxamido, 282-4°, 75. Similarly were prepared the following compounds (m.p. or b.p. and % yield given): p-ethoxyanilide of II, 170-2°, 60; diethylamide of II, 276-8°/760 mm., 65; piperidide of II, 314-16°/760, 60; diethylamide of isonicotinic acid (V), 26-8°, 68; p-ethoxyanilide of V, 198-290°, 75; 2-methylpyridine-5-carboxanilide (VI), 138-40°, 68; 2-Ph analog of VI, 200-2°, 70.

Journal fuer Praktische Chemie (Leipzig) published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H14N2O, Application In Synthesis of 530-40-5.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Joullie, Madeleine M.’s team published research in Journal of the American Chemical Society in 77 | CAS: 360-92-9

Journal of the American Chemical Society published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, Category: amides-buliding-blocks.

Joullie, Madeleine M. published the artcileReactions of amines with esters of polyhalogenated acids, Category: amides-buliding-blocks, the publication is Journal of the American Chemical Society (1955), 6662-3, database is CAplus.

Me2C:CH2 passed 1 hr. into 37 g. CF3CO2H (I) at 50°, and the mixture allowed to stand overnight, treated with more Me2C:CH2 until the heat evolution ceased, and fractionated yielded 75% CF3CO2CMe3 (II), b60 30°, b760 83°, nD25 1.3300. An appropriate ester treated gradually with the appropriate amine, and the mixture allowed to stand overnight and fractionated gave the corresponding amide; the mixtures with II were allowed to stand 4 days before fractionation. In this manner were prepared the following amides of I (m.p. or b.p./mm., % yield, nD25 given): di-Et, 30°/2, 60, 1.3780; piperidide, 44°/1, 84, 1.4153; morpholide, 47°/1, 87, 1.4177. C2F5CO2H: Bu, 48°/1, 80, 1.3642; morpholide, 59°/1 (m.p. 46-7°), 85, -. C3F7CO2H: Bu, 56°/2, 80, 1.3568; piperidide, 57°/2, 85, 1.3846; pyrrolidide, 65°/2, 76, 1.3755; morpholide, 72°/2, 89, 1.3850; piperidide of CHF2CO2H, 66°/3, 85, 1.4500. CClF2CO2H piperidide, 98°/10, 90, 1.4520. CHCl2CO2H pyrrolidide, 120°/2, 75, 1.5182.

Journal of the American Chemical Society published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, Category: amides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Jart, Aage’s team published research in Acta Polytechnica Scandinavica, Chemistry Including Metallurgy Series in 121 | CAS: 2447-79-2

Acta Polytechnica Scandinavica, Chemistry Including Metallurgy Series published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Computed Properties of 2447-79-2.

Jart, Aage published the artcileInfrared spectra of carboxylic acid derivatives. VI. Equivalent weight determination. Quantitative aspects of the pressed halide disk technique, Computed Properties of 2447-79-2, the publication is Acta Polytechnica Scandinavica, Chemistry Including Metallurgy Series (1974), 118 pp., database is CAplus.

Ir spectroscopic quant. equivalent weight measurements were made using the C:O band and other absorptions exhibited by the KBr pellets of amides and esters as well on the bands exhibited by the KBr pellets of S-benzylthiouronium salts. The sp. absorptions and intensity variations of 19 p-thiocyanatoanilides, 12 p-thiocyanatophenacyl esters, 12 p-thiocyanato-S-benzylthiouronium salts and 21 p-cyano-S-benzylthiouronium salts were examined The p-cyano-S-benzylthiouronium salts were models for the study of internal standards, the relation between band intensity and the nature of the matrix, and to the interchange between the sample and the KBr, RbBr, CsBr, or TlBr matrixes. A quant. method for the determination of the equivalent weight of carboxylic acids in KBr based on lyophilization with HBr (extinction coefficient measured at 2233 cm-1) was also developed.

Acta Polytechnica Scandinavica, Chemistry Including Metallurgy Series published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Computed Properties of 2447-79-2.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Jart, A.’s team published research in Acta Polytech. Scand., Chem. Met. Ser. in No. 42 | CAS: 2447-79-2

Acta Polytech. Scand., Chem. Met. Ser. published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, HPLC of Formula: 2447-79-2.

Jart, A. published the artcileInfrared spectra of carboxylic acid derivatives. IV. Amides and hydrazides, HPLC of Formula: 2447-79-2, the publication is Acta Polytech. Scand., Chem. Met. Ser. (1965), 55 pp., database is CAplus.

cf. CA 63, 14654f. The ir spectra of 91 carboxylic acid amides, 6 thioamides, and 11 sulfonamides, as well as 30 carboxylic acid monohydrazides, and 3 sym. dihydrazides are given. The spectra were recorded by means of a Perkin-Elmer grating spectrophotometer, model 421, within the range 550-4000 cm.-1 by using the KBr disk technique. Some of the amides and hydrazides prepared have not been described previously in the literature. M.ps. are given for all the compounds considered.

Acta Polytech. Scand., Chem. Met. Ser. published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, HPLC of Formula: 2447-79-2.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Ivanciuc, Ovidiu’s team published research in Internet Electronic Journal of Molecular Design in 3 | CAS: 2447-79-2

Internet Electronic Journal of Molecular Design published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Application of 2,4-Dichlorobenzamide.

Ivanciuc, Ovidiu published the artcileSupport vector machines prediction of the mechanism of toxic action from hydrophobicity and experimental toxicity against Pimephales promelas and Tetrahymena pyriformis, Application of 2,4-Dichlorobenzamide, the publication is Internet Electronic Journal of Molecular Design (2004), 3(12), 802-821, database is CAplus.

Motivation: The prediction of the mechanism of action (MOA) using structural descriptors has major applications in selecting the appropriate quant. structure-activity relationships (QSAR) model, to identify chems. with similar toxicity mechanism, and in extrapolating toxic effects between different species and exposure regimes. Method: The SVM (support vector machines) algorithm was recently proposed as an efficient and flexible classification method for various bioinformatics and cheminformatics applications. In this study we have investigated the application of SVM for the classification of 337 organic compounds from eight MOA classes (nonpolar narcosis, polar narcosis, ester narcosis, amine narcosis, weak acid respiratory uncoupling, electrophilicity, proelectrophilicity, and nucleophilicity). The MOA classification was based on three indexes, namely: log Kow, the octanol-water partition coefficient; log 1/IGC50, the 50% inhibitory growth concentration against Tetrahymena pyriformis; log 1/LC50, the 50% lethal concentration against Pimephales promelas. The prediction power of each SVM model was evaluated with a leave – 5/% – out cross – validation procedure. Results: In order to find classification models with good predictive power, we have investigated a large number of SVM models obtained with the dot, polynomial, radial basis function, neural, and anova kernels. The MOA classification performances of SVM models depend strongly on the kernel type and various parameters that control the kernel shape. The discrimination between nonpolar narcotic compounds and the other chems. can be obtained with radial and anova SVM models, with a prediction accuracy of 0.80. The separation of less reactive compounds (polar, ester, and amine narcotics) from more reactive compounds (electrophiles, proelectrophiles, and nucleophiles) is obtained with a slightly higher error (prediction accuracy 0.71, obtained with radial SVM models). Conclusions: SVM models that use as input parameters hydrophobicity and exptl. toxicity against Pimephales promelas and Tetrahymena pyriformis represent an effective MOA classification method for a large diversity of organic compounds This approach can be used to predict the aquatic toxicity mechanism and to select the appropriate QSAR model for new chem. compounds

Internet Electronic Journal of Molecular Design published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Application of 2,4-Dichlorobenzamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Hoerlein, Ulrich’s team published research in European Journal of Medicinal Chemistry in 12 | CAS: 15029-36-4

European Journal of Medicinal Chemistry published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Formula: C5H8N2O.

Hoerlein, Ulrich published the artcileNonsymmetric N-substituted bispidine (3,7-diazabicyclo[3.3.1]nonane. I, Formula: C5H8N2O, the publication is European Journal of Medicinal Chemistry (1977), 12(4), 301-5, database is CAplus.

Bispidine derivatives I [R = R1 = Me, RR1 = (CH2)5, R2 = Me, Et, CH2Ph, R3 = H; RR1 = (CH2)4, R2 = Me, Et, R3 = H] were prepared by condensing RR1C:C(CN)CO2Et with R2NHCOCH2CN, hydrolyzing II, and reducing diimides with LiAlH4. I [R3 = acyl, 4-FC6H4CO(CH2)3, 8-chloro-10,11-dihydrobenzo[b,f]thiepin-10-yl] were prepared by substitution of I (R3 = H). I [RR1 = (CH2)5, (CH2)4, R2 = Me, R3 = COCH2Ph] had analgesic activities of the same magnitude as morphine. Some other I exhibited various pharmacol. activity, but only to a degree.

European Journal of Medicinal Chemistry published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Formula: C5H8N2O.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Haggam, Reda A.’s team published research in Research on Chemical Intermediates in 47 | CAS: 79-07-2

Research on Chemical Intermediates published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C2H4ClNO, SDS of cas: 79-07-2.

Haggam, Reda A. published the artcileMicrowave-assisted synthesis of double-headed derivatives of 1,2-bis(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)ethan-1-ol and study of their biological activity, SDS of cas: 79-07-2, the publication is Research on Chemical Intermediates (2021), 47(9), 3733-3749, database is CAplus.

Rapid and efficient synthesis of a series of some novel derivatives of 1,2-bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)ethan-1-ol (I), prepared from thiocarbohydrazide and dl-malic acid under microwave (MW) irradiation, is described. Reactions of I with several alkylating agents, such as epichlorohydrin, 3-chloro-1-propanol, (2-acetoxyethoxy)methyl bromide, propargyl bromide, chloroacetamide, etc., as well as cyclization reactions with α-bromoacetophenone, benzoyl isothiocyanate, chloroacetyl chloride, succinic anhydride, etc. were studied. Higher yields and shorter reaction times were observed under microwave irradiation conditions in comparison to conventional heating procedures. The structures of the obtained products were established based on their 1H/13C NMR, IR, elemental anal. and correlation experiments The synthesized compounds were screened for their antifungal activities. The minimal inhibitory concentration (MIC) of the screened compounds showed significant activity of several compounds against Gram (+ve) and Gram (-ve) bacteria and antifungal activity compared to the standard drugs.

Research on Chemical Intermediates published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C2H4ClNO, SDS of cas: 79-07-2.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Gryszkiewicz-Trochimowski, E.’s team published research in Roczniki Chemii in 11 | CAS: 530-40-5

Roczniki Chemii published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H14N2O, Application of N,N-Diethylisonicotinamide.

Gryszkiewicz-Trochimowski, E. published the artcileAmides of carboxylic acids of the heterocyclic series, Application of N,N-Diethylisonicotinamide, the publication is Roczniki Chemii (1931), 193-202;201-2 in French, database is CAplus.

In analogy with the N-diethylamide of 3-pyridinecarboxylic acid coramine, 3 new diethylamides were prepared, viz., of 2-pyridinecarboxylic, of 4-pyridinecarboxylic and of tetramethylpyrrolinecarboxylic acid, resp., and their chem. and physiol. properties were investigated. Picolinyl chloride (I) is prepared according to Meyer, Monatsh. 22, 112(1901), from the acid (II) and SOCl2. N-Diethylamide of II, prepared from pulverized (I) and dry Et2NH, almost odorless oil of bitter taste, neutral, m. 26-8°, b3 122.5-3°, corrected, d416.2 1.0603, nα16.2 1.5209, nD16.2 1.5254, nβ16.2 1.5348. Coramine, m. 21-3°, b3 128.5-9°, corrected, nα16.2 1.5235, nD16.2 1.5279, nβ16.2 1.5391. N-Diethylamide of 4-pyridinecarboxylic acid (isonicotinic acid), prepared similarly to II, is a neutral, viscous oil, m. 22-4°, b3 123-3.5°, corrected, d416.2 1.0630, nα16.2 1.5225, nD16.2 1.5269, nβ16.2 1.5380. N-Diethylamide of 2,2′,5,5′-tetramethylpyrrolinecarboxylic acid (III), prepared by interaction of dibromotriacetoneamine-HBr (prepared according to Pauly, Ber. 31, 672), and 33% aqueous Et2NH, m. 33-4°, b9 129.5-30°. It tastes bitter and reacts strongly alk. The 3 diethylamides differ in their physiol. action. The 2-isomer has an action on the heart similar to that of coramine, but does not affect the nervous system. The physiol. action of III is entirely different from that of coramine.

Roczniki Chemii published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H14N2O, Application of N,N-Diethylisonicotinamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Graham, Laurine L.’s team published research in Organic Magnetic Resonance in 4 | CAS: 360-92-9

Organic Magnetic Resonance published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, Computed Properties of 360-92-9.

Graham, Laurine L. published the artcileChemical shift assignments in N,N-disubstituted trifluoroacetamides, Computed Properties of 360-92-9, the publication is Organic Magnetic Resonance (1972), 4(2), 335-42, database is CAplus.

Due to hindered rotation about the central C-N bond in N,N-disubstituted trifluoroacetamides, CF3CONR1R2, two resonance peaks are usually observed for each proton in R1 and R2. Chem. shift assignments are made for the following amides: R1 = R2 = Me; R1 = R2 = Et; R1 = Me, R2 = Me2CH; R1 = Me, R2 = Bu; R1 = Me, R2 = cyclohexyl; R1 = R2 = Me2CH; R1 = Me2CH, R2 = cyclohexyl. Amides, where R1 = R2 = Me2CH and R1 = Me2CH, R2 = cyclohexyl, show an inversion of the relative chem. shift for both the methine and methyl protons of the 2-propyl group as compared with the amide where R1 = Me, R2 = Me2CH. For non-fluorinated amides, aromatic solvents shift the trans alkyl peaks to higher field faster than those cis (to the carbonyl oxygen atom); however, this generalization does not apply to all trifluoroacetamide proton peaks.

Organic Magnetic Resonance published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, Computed Properties of 360-92-9.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics