benzyl 4-oxo-2-phenyl-3,4-dihydropyridine-1(2H)-carboxylate

Base Information

• Chemical Name: benzyl 4-oxo-2-phenyl-3,4-dihydropyridine-1(2H)-carboxylate
• CAS No.: 126378-73-2
• Molecular Formula: C19H17NO3
• Molecular Weight: 307.349
• DSSTox Substance ID: DTXSID60437651
• Nikkaji Number: J574.245E
• Mol file: 126378-73-2.mol

Synonyms:126378-73-2;benzyl 4-oxo-2-phenyl-3,4-dihydropyridine-1(2H)-carboxylate;Benzyl 4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate;BENZYL 3,4-DIHYDRO-4-OXO-2-PHENYLPYRIDINE-1(2H)-CARBOXYLATE;SCHEMBL3159251;DTXSID60437651;Benzyl4-oxo-2-phenyl-3,4-dihydropyridine-1(2H)-carboxylate;4-Oxo-2-phenyl-3,4-dihydro-2H-pyridine-1-carboxylic acid benzyl ester;CS-0443826;FT-0733144;A850630;J-519811;1-benzyloxycarbonyl-4-oxo-2-phenyl-3,4-dihydro-2H-pyridine;1-(Benzyloxycarbonyl)-2-phenyl-1,2,3,4-tetrahydropyridine-4-one

Chemical Property of benzyl 4-oxo-2-phenyl-3,4-dihydropyridine-1(2H)-carboxylate

Chemical Property:

• Boiling Point: 479.9±45.0 °C(Predicted)
• PKA: -5.06±0.40(Predicted)
• PSA: 46.61000
• Density: 1.230±0.06 g/cm3(Predicted)
• LogP: 3.79090
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 307.12084340
• Heavy Atom Count: 23
• Complexity: 448

Purity/Quality:

97% ^*data from raw suppliers

Benzyl2-phenyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(C=CC1=O)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of benzyl 4-oxo-2-phenyl-3,4-dihydropyridine-1(2H)-carboxylate

There total 6 articles about benzyl 4-oxo-2-phenyl-3,4-dihydropyridine-1(2H)-carboxylate 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: 99.4%

4-methoxypyridine (620-08-6,1232006-56-2) + benzyl chloroformate (501-53-1,94274-21-2) + phenylmagnesium bromide (100-58-3) → N-<(Benzyloxy)carbonyl>-2-phenyl-2,3-dihydro-4-pyridone (126378-73-2)

Guidance literature:

4-methoxypyridine; benzyl chloroformate; In tetrahydrofuran; at -78 ℃; for 0.5h;

phenylmagnesium bromide; In tetrahydrofuran; at -78 - 20 ℃; for 1h;

Reference yield:

4-methoxypyridine (620-08-6,1232006-56-2) + phenylmagnesium bromide + benzyl chloroformate (501-53-1,94274-21-2) → N-<(Benzyloxy)carbonyl>-2-phenyl-2,3-dihydro-4-pyridone (126378-73-2)

Guidance literature:

In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.tetlet.2007.01.135

Reference yield:

4-methoxypyridine (620-08-6,1232006-56-2) → N-<(Benzyloxy)carbonyl>-2-phenyl-2,3-dihydro-4-pyridone (126378-73-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 0.5 h / -23 °C

2: tetrahydrofuran / 1.) -23 deg C, 45 min, 2.) room temp., 30 min

In tetrahydrofuran;

DOI:10.1021/jo00079a018

upstream raw materials:

4-methoxypyridine

benzyl chloroformate

phenylmagnesium bromide

Downstream raw materials:

2-(4-fluoro-2-methyl-phenyl)-4-oxo-piperidine-1-carboxylic acid benzyl ester

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