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

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, diethyl ester
• CAS No.: 84761-70-6
• Molecular Formula: C₂₀H₂₃F₂NO₅
• Molecular Weight: 395.403
• DSSTox Substance ID: DTXSID00233790
• Nikkaji Number: J66.581I
• Mol file: 84761-70-6.mol

Synonyms:84761-70-6;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, diethyl ester;2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethoxyphenyl)-1,4-dihydropyridine;C20H23F2NO5;DTXSID00233790;DLDXYQURYQJYFU-UHFFFAOYSA-N;LS-131208;4-[2-(Difluoromethoxy)phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid diethyl ester

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

Chemical Property:

• Vapor Pressure: 5.28E-09mmHg at 25°C
• Boiling Point: 469.9°Cat760mmHg
• Flash Point: 238°C
• PSA: 73.86000
• Density: 1.202g/cm³
• LogP: 3.97780
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 395.15442916
• Heavy Atom Count: 28
• Complexity: 619

Purity/Quality:

2,6-DIMETHYL-3,5-DIETHOXYCARBONYL-4-(O-DIFLUOROMETHOXYPHENYL)-1,4-DIHY DROPYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C(=O)OCC)C)C

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

There total 2 articles about 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, diethyl 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: 53.2%

o-difluoromethoxybenzaldehyde (71653-64-0) + acetoacetic acid methyl ester (105-45-3) → 2,6-dimethyl-3,5-diethoxycarbonyl-4-(-o-difluoromethoxyphenyl)-1,4-dihydropyridine (84761-70-6) + Riodipine (71653-63-9) + 2,6-dimethyl-3-methoxycarbonyl-5-carbamoyl-4-(o-difluoromethoxyphenyl)-1,4-dihydropyridine (99460-93-2) + 2,6-dimethyl-3-methoxycarbonyl-5-ethoxycarbonyl-4-(o-difluoromethoxyphenyl)-1,4-dihydropyridine (99460-92-1)

Guidance literature:

With ammonia; methyl 3-aminocrotonate; In methanol; Product distribution; further solvents, different pH-values;

Reference yield: 46.3%

ethyl acetoacetate (141-97-9) + o-difluoromethoxybenzaldehyde (71653-64-0) → 2,6-dimethyl-3,5-diethoxycarbonyl-4-(-o-difluoromethoxyphenyl)-1,4-dihydropyridine (84761-70-6)

Guidance literature:

With ammonium hydroxide; In ethanol; Heating;

DOI:10.1007/BF00770311

Reference yield: 33.0%

2,6-dimethyl-3,5-diethoxycarbonyl-4-(-o-difluoromethoxyphenyl)-1,4-dihydropyridine (84761-70-6) → CGP 28392 (89289-93-0)

Guidance literature:

With N-Bromosuccinimide; In chloroform; for 0.5h; Heating;

DOI:10.1007/BF00764614

upstream raw materials:

ethyl acetoacetate

o-difluoromethoxybenzaldehyde

acetoacetic acid methyl ester

Downstream raw materials:

CGP 28392

4-(2-Difluoromethoxy-phenyl)-2-methyl-5-oxo-5,7-dihydro-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester