108139-80-6

Basic information

• Product Name: dimethyl 4,6-dimethyl-2-(2-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate
• Synonyms: dimethyl 4,6-dimethyl-2-(2-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate
• CAS NO: 108139-80-6
• Molecular Weight: 346.34
• Mol File: 108139-80-6.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: dimethyl 4,6-dimethyl-2-(2-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl 4,6-dimethyl-2-(2-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate(108139-80-6)
• EPA Substance Registry System: dimethyl 4,6-dimethyl-2-(2-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate(108139-80-6)

Safety Data

• Hazardous Substances Data: 108139-80-6(Hazardous Substances Data)

Upstream product

• 21731-17-9 methyl 3-aminocrotonate 
• 552-89-6 2-nitro-benzaldehyde 
• 105-45-3 acetoacetic acid methyl ester 

Downstream Products

• 133148-10-4 1,2-Dihydro-4,6-dimethyl-2-(2-N-benzoylhydroxylaminophenyl)-pyridin-3,5-dicarbonsaeuredimethylester 
• 117750-90-0 C₃₄H₃₂N₄O₁₀ 
• 117730-56-0 5,6-Dihydro-2,4-dimethyl-6-hydroxy-5-oxo-benzo<2,5>naphthyridin-3-carbonsaeuremethylester 
• 117730-54-8 4,6-Dimethyl-2-(2-nitrophenyl)-pyridin-3,5-dicarbonsaeuredimethylester 
• 135276-99-2 (R,S)-4-Methyl-2-(2-nitrophenyl)-5-oxo-1,2,5,7-tetrahydrofuro<3,4-b>pyridin-3-carbonsaeuremethylester 
• 133148-11-5 2,4-Dimethyl-1,2,5,6-tetrahydro-2,6-methano-1,5-benzodiacocin-3,11-dicarbonsaeuredimethylester 
• 133148-08-0 1,2-Dihydro-4,6-dimethyl-2-(2-hydroxylaminophenyl)-pyridin-3,5-dicarbonsaeuredimethylester 

Relevant articles and documents

Molecular and crystalline structure of dimethyl 4,6-dimethyl-2-(2-nitrophenyl)-,2-dihydropyridine-3,5-dicarboxylate, by-product in the synthesis of nifedipine

Dimethyl 4,6-dimethyl-2-(2-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate was isolated and identified among by-products formed in the synthesis of Nifedipine. According to the X-ray diffraction data, the heteroring occurs in the distorted (unsymmetrical) boat conformation, the nitrophenyl group occupies the axial position and is almost orthogonal to the dihydropyridine fragment. The geometric parameters of the heteroring suggest that its conjugation system does not include the sp3 -hybridized carbon atom. The experimental geometric parameters of the title compound were compared with those for other substituted 1,2-dihydropyridines and with those obtained by quantum-chemical calculations.

Synthesis of Dimethyl and Diethyl 2-Aryl-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylates - Isomers of Hantzsch-type 1,4-Dihydropyridines.

Dimethyl and diethyl 2-aryl-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylates are produced from the reaction of aldehydes with ketoesters, when a large excess of ammonia is added to the components in acetic acid solution.