3,5-Pyridinedicarboxylic acid, 4-(2-cyanophenyl)-2-(dimethoxymethyl)-1,4-dihydro-6-methyl-, 3-methyl 5-(2-methylpropyl) ester

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 4-(2-cyanophenyl)-2-(dimethoxymethyl)-1,4-dihydro-6-methyl-, 3-methyl 5-(2-methylpropyl) ester
• CAS No.: 77581-31-8
• Molecular Formula: C₂₃H₂₈N₂O₆
• Molecular Weight: 428.485
• Mol file: 77581-31-8.mol

Synonyms:

Chemical Property of 3,5-Pyridinedicarboxylic acid, 4-(2-cyanophenyl)-2-(dimethoxymethyl)-1,4-dihydro-6-methyl-, 3-methyl 5-(2-methylpropyl) ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,5-Pyridinedicarboxylic acid, 4-(2-cyanophenyl)-2-(dimethoxymethyl)-1,4-dihydro-6-methyl-, 3-methyl 5-(2-methylpropyl) ester

There total 4 articles about 3,5-Pyridinedicarboxylic acid, 4-(2-cyanophenyl)-2-(dimethoxymethyl)-1,4-dihydro-6-methyl-, 3-methyl 5-(2-methylpropyl) ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 35.6%

methyl 2-(2-cyanobenzylidene)-4,4-dimethoxy acetoacetate (67448-02-6) + 2-methyl-1-propyl 3-amino-2-butenoate (52937-90-3) → isobutyl 6-dimethoxymethyl-2-methyl-4-(2-cyanophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylate (77581-31-8)

Guidance literature:

at 95 - 120 ℃; for 8.5h;

DOI:10.1248/cpb.39.3189

Reference yield:

methyl 2-(2-cyanobenzylidene)-4,4-dimethoxyacetoacetate (75206-21-2) + isobutyl 3-aminocrotonate → n-propyl 6-dimethoxymethyl-2-methyl-4-(2-cyanophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylate (77581-30-7) + isobutyl 6-dimethoxymethyl-2-methyl-4-(2-cyanophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylate (77581-31-8)

Guidance literature:

Reference yield:

4,4-dimethoxy-3-oxo-butyric acid methyl ester (60705-25-1) → isobutyl 6-dimethoxymethyl-2-methyl-4-(2-cyanophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylate (77581-31-8)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine / benzene / 3 h / Heating

2: 35.6 percent / 8.5 h / 95 - 120 °C

With piperidine; In benzene;

DOI:10.1248/cpb.39.3189

upstream raw materials:

methyl 2-(2-cyanobenzylidene)-4,4-dimethoxy acetoacetate

2-methyl-1-propyl 3-amino-2-butenoate

4,4-dimethoxy-3-oxo-butyric acid methyl ester

o-formylbenzonitrile

Downstream raw materials:

isobutyl 6-formyl-2-methyl-4-(2-cyanophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylate

4-(2-Cyano-phenyl)-2-hydroxymethyl-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-isobutyl ester 3-methyl ester

Isobutyl 6-cyano-2-methyl-4 (2-cyanophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylate

n-propyl 6-formyl-2-methyl-4-(2-cyanophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylate