184945-33-3

Basic information

• Product Name: 3-Pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2- methyl-, ethyl ester
• CAS NO: 184945-33-3
• Molecular Formula: C18H18ClN3O3S
• Molecular Weight: 391.878
• Mol File: 184945-33-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3-Pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2- methyl-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2- methyl-, ethyl ester(184945-33-3)
• EPA Substance Registry System: 3-Pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2- methyl-, ethyl ester(184945-33-3)

Safety Data

• Hazardous Substances Data: 184945-33-3(Hazardous Substances Data)

Upstream product

• 144-48-9 iodacetamide 
• 148859-86-3 4-(4-Chloro-phenyl)-5-cyano-6-mercapto-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester; compound with piperidine 
• 104-88-1 4-chlorobenzaldehyde 
• 141-97-9 ethyl acetoacetate 
• 19411-80-4 2-(4-chlorophenylmethylene)acetoacetic acid ethyl ester 

Relevant articles and documents

Synthesis, structure, and electrochemical characteristics of 4-aryl-2-carbamoylmethylthio-5-ethoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid nitriles

We have obtained 4-aryl-2-carbamoylmethylthio-5-ethoxycarbonyl-1,4- dihydropyridine-3-carboxylic acid nitriles by S-alkylation of the corresponding 2-thioxo-1,2,3,4-tetrahydropyridine-3-carboxylic acid nitrile by iodoacetamide or one-pot multicomponent synthesis methods: condensation of 2-arylidene-acetoacetic acid ethyl ester, 2-cyanothioacetamide, piperidine, and iodoacetamide; acetoacetic acid ethyl ester, 3-aryl-2-cyanothioacrylamide, piperidine, and iodoacetamide; acetoacetic acid ethyl ester, an aromatic aldehyde, 2-cyanothioacetamide, piperidine, and iodoacetamide. We have carried out a comparative analysis of the capability of 2-alkylthio-4-aryl-5- ethoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid nitriles for electrochemical oxidation as a function of the electronic properties of the aryl substituent in the 4 position of the heterocycle and the 2-alkylthio substituent. X-ray diffraction data indicate the existence of a hydrogen bond between the C=O of the 2-carbamoylmethylthio substituent and the NH of the hydrogenated heterocycle, which explains the more facile oxidation of the studied compounds compared with 2-methylthio-substituted 1,4-dihydropyridines.