3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(methoxycarbonyl)phenyl)-2,6-dimethyl-, dimethyl ester

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(methoxycarbonyl)phenyl)-2,6-dimethyl-, dimethyl ester
• CAS No.: 121497-05-0
• Molecular Formula: C19H21 N O6
• Molecular Weight: 359.3731
• UNII: YR57MD8BK3
• DSSTox Substance ID: DTXSID10153278
• Nikkaji Number: J2.261.530K
• ChEMBL ID: CHEMBL72448
• Mol file: 121497-05-0.mol

Synonyms:121497-05-0;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(methoxycarbonyl)phenyl)-2,6-dimethyl-, dimethyl ester;BAS 06345945;YR57MD8BK3;CHEMBL72448;SCHEMBL16137718;DTXSID10153278;AKOS000552655;SR-01000320118;SR-01000320118-1;dimethyl 4-[4-(methoxycarbonyl)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate;3,5-Dimethyl 1,4-dihydro-4-[4-(methoxycarbonyl)phenyl]-2,6-dimethyl-3,5-pyridinedicarboxylate;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[4-(methoxycarbonyl)phenyl]-2,6-dimethyl-, 3,5-dimethyl ester

Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(methoxycarbonyl)phenyl)-2,6-dimethyl-, dimethyl ester

Chemical Property:

• Vapor Pressure: 1.19E-09mmHg at 25°C
• Boiling Point: 487.4°Cat760mmHg
• Flash Point: 248.6°C
• Density: 1.204g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 359.13688739
• Heavy Atom Count: 26
• Complexity: 617

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)OC

Technology Process of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(methoxycarbonyl)phenyl)-2,6-dimethyl-, dimethyl ester

There total 5 articles about 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(methoxycarbonyl)phenyl)-2,6-dimethyl-, dimethyl 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: 86.0%

1-[2-[4-[3,5-(dimethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]benzoyloxy]ethyl]pyridinium hexafluorophosphate + methanol (67-56-1) → dimethyl 4-[4-(methoxycarbonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (121497-05-0)

Guidance literature:

With sodium methylate; at 78 ℃; for 18h;

DOI:10.1016/j.tet.2005.09.118

Reference yield: 70.0%

methyl 4-formylbenzoate (1571-08-0) + methyl 3-aminocrotonate (14205-39-1) → dimethyl 4-[4-(methoxycarbonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (121497-05-0)

Guidance literature:

In methanol; for 24h; Heating;

DOI:10.1021/jm00130a012

Reference yield:

acetoacetic acid methyl ester (105-45-3) + methyl 4-formylbenzoate (1571-08-0) → dimethyl 4-[4-(methoxycarbonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (121497-05-0)

Guidance literature:

With ammonia; In ethanol; at 80 ℃; for 0.5h; Microwave irradiation;

DOI:10.1039/d1cc00495f

upstream raw materials:

methyl 4-formylbenzoate

methyl 3-aminocrotonate

methanol

4-Carboxybenzaldehyde