BP827Guu5Q

Base Information

• Chemical Name: BP827Guu5Q
• CAS No.: 166808-97-5
• Molecular Formula: C16H16N2O6
• Molecular Weight: 332.313
• UNII: BP827GUU5Q
• Mol file: 166808-97-5.mol

Synonyms:BP827GUU5Q;SCHEMBL7160127;2,6-Dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester;3-Methyl 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylate;166808-97-5;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-, monomethyl ester

Chemical Property of BP827Guu5Q

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 332.10083623
• Heavy Atom Count: 24
• Complexity: 623

Purity/Quality:

HPLC ≥ 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of BP827Guu5Q

There total 1 articles about BP827Guu5Q 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:

→ (+)-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)pyridine-3,5-dicarboxylic acid monomethyl ester (166808-97-5)

Guidance literature:

Reference yield:

(+)-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)pyridine-3,5-dicarboxylic acid monomethyl ester (166808-97-5) → 5-Chlorocarbonyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid methyl ester

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 5 ℃; for 1h;

DOI:10.1016/S0223-5234(98)80015-9

Reference yield:

(+)-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)pyridine-3,5-dicarboxylic acid monomethyl ester (166808-97-5) → 2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-{2-[(3,3-diphenyl-propyl)-methyl-amino]-1,1-dimethyl-ethyl} ester 5-methyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / CH₂Cl₂; dimethylformamide / 1 h / 0 - 5 °C

2: dimethylformamide; CH₂Cl₂ / 3 h / 0 °C

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/S0223-5234(98)80015-9