3-Pyridinecarboxylic acid, 4-phenyl-, ethyl ester

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 4-phenyl-, ethyl ester
• CAS No.: 40541-76-2
• Molecular Formula: C14H13NO2
• Molecular Weight: 227.263
• DSSTox Substance ID: DTXSID50451321
• Nikkaji Number: J765.480D
• Mol file: 40541-76-2.mol

Synonyms:3-Pyridinecarboxylic acid, 4-phenyl-, ethyl ester;40541-76-2;4-phenyl-3-carbethoxypyridine;DTXSID50451321;4-Phenylnicotinic acid ethyl ester

Chemical Property of 3-Pyridinecarboxylic acid, 4-phenyl-, ethyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CN=C1)C2=CC=CC=C2

Technology Process of 3-Pyridinecarboxylic acid, 4-phenyl-, ethyl ester

There total 22 articles about 3-Pyridinecarboxylic acid, 4-phenyl-, ethyl 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%

ethyl 4-chloropyridine-3-carboxylate hydrochloride (174496-99-2) + phenylboronic acid (98-80-6) → Ethyl 4-phenylpyridine-3-carboxylate (40541-76-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; at 85 ℃; Inert atmosphere;

DOI:10.1002/cmdc.201300144

Reference yield: 80.0%

ethyl 1-acetyl-1,4-dihydro-4-phenylpyridine-3-carboxylate (350032-39-2) → Ethyl 4-phenylpyridine-3-carboxylate (40541-76-2)

Guidance literature:

With manganese(IV) oxide; In toluene; for 72h; Heating;

DOI:10.3987/COM-00-9141

Reference yield: 80.0%

ethyl 1-tert-butoxycarbonyl-4-phenyl-1,4-dihydropyridine-3-carboxylate (461679-44-7) → Ethyl 4-phenylpyridine-3-carboxylate (40541-76-2)

Guidance literature:

at 40 ℃; for 672000h; Irradiation;

DOI:10.3987/COM-01-9423

upstream raw materials:

1-(ethoxycarbonyl)-6-phenyl-3-azahexa-1,3,5-triene

ethanol

ethyl 1-acetyl-1,4-dihydro-4-phenylpyridine-3-carboxylate

3-pyridinecarboxylic acid ethyl ester

Downstream raw materials:

3-(azidomethyl)-4-phenyl pyridine

N-(3,5-bis(trifluoromethyl)benzyl)-N-((4-phenylpyridin-3-yl)methyl)thiophene-3-carboxamide

N-(3,5-bis(trifluoromethyl)benzyl)-N-((4-phenylpyridin-3-yl)methyl)thiophene-2-carboxamide

N-(3,5-bis(trifluoromethyl)benzyl)-N-((4-phenylpyridin-3-yl)methyl)furan-3-carboxamide