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

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(difluoromethoxy)phenyl)-2,6-dimethyl-, dimethyl ester
• CAS No.: 84761-71-7
• Molecular Formula: C₁₈H₁₉F₂NO₅
• Molecular Weight: 367.349
• DSSTox Substance ID: DTXSID60233791
• Nikkaji Number: J66.583E
• Mol file: 84761-71-7.mol

Synonyms:84761-71-7;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(difluoromethoxy)phenyl)-2,6-dimethyl-, dimethyl ester;2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(p-difluoromethoxyphenyl)-1,4-dihydropyridine;2,6-Dimethyl-3,5-Dimethoxycarbonyl-4-(4-Difluoromethoxyphenyl)-1,4-Dihydropyridine;SCHEMBL11205777;DTXSID60233791;LS-131212;4-[4-(Difluoromethoxy)phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid dimethyl ester

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

Chemical Property:

• Vapor Pressure: 1.74E-08mmHg at 25°C
• Boiling Point: 455.5°Cat760mmHg
• Flash Point: 229.3°C
• PSA: 73.86000
• Density: 1.242g/cm³
• LogP: 3.19760
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 367.12312903
• Heavy Atom Count: 26
• Complexity: 583

Purity/Quality:

2,6-DIMETHYL-3,5-DIMETHOXYCARBONYL-4-(P-DIFLUOROMETHOXYPHENYL)-1,4-DIH YDROPYRIDINE 95.00% ^*data from reagent suppliers

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)OC(F)F)C(=O)OC

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

There total 1 articles about 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(difluoromethoxy)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: 55.6%

4-difluoromethoxybenzaldehyde (73960-07-3) + acetoacetic acid methyl ester (105-45-3) → 4-(4-Difluoromethoxy-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester (84761-71-7)

Guidance literature:

With ammonium hydroxide; In ethanol; Heating;

DOI:10.1007/BF00770311

Reference yield:

4-(4-Difluoromethoxy-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester (84761-71-7) → 4-(4-Difluoromethoxy-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid dimethyl ester

Guidance literature:

With sodium nitrite; In acetic acid; 1.) heating, 1 h, 2.) room temp., 2 h;

DOI:10.1007/BF00770311

upstream raw materials:

4-difluoromethoxybenzaldehyde

acetoacetic acid methyl ester