3-Methyl 1-phenyl 5-oxo-5,6-dihydropyridine-1,3(4H)-dicarboxylate

Base Information

• Chemical Name: 3-Methyl 1-phenyl 5-oxo-5,6-dihydropyridine-1,3(4H)-dicarboxylate
• CAS No.: 323201-20-3
• Molecular Formula: C₁₄H₁₃NO₅
• Molecular Weight: 275.261
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID10363739
• Nikkaji Number: J1.620.092A
• Wikidata: Q82147478
• Mol file: 323201-20-3.mol

Synonyms:323201-20-3;3-Methyl 1-phenyl 5-oxo-5,6-dihydropyridine-1,3(4H)-dicarboxylate;5-O-methyl 1-O-phenyl 3-oxo-2,4-dihydropyridine-1,5-dicarboxylate;5,6-Dihydro-5-oxo-1,3(4H)-pyridinedicarboxylic acid,3-methyl 1-phenyl ester;5,6-DIHYDRO-5-OXO-1,3(4H)-PYRIDINEDICARBOXYLIC ACID, 3-METHYL 1-PHENYL ESTER;DTXSID10363739;AC5892;MFCD03426205;SY027255;CS-0451031;A875652;3-methyl 1-phenyl 5-oxo-1,4,5,6-tetrahydropyridine-1,3-dicarboxylate;5,6-dihydro-5-oxo-1,3(4H)-pyridinedicarboxylic acid 3-methyl 1-phenyl ester;5-Oxo-1,4,5,6-tetrahydropyridine-1,3-dicarboxylic acid 1-phenyl 3-methyl ester

Chemical Property of 3-Methyl 1-phenyl 5-oxo-5,6-dihydropyridine-1,3(4H)-dicarboxylate

Chemical Property:

• Boiling Point: 421.0±45.0 °C(Predicted)
• PKA: -3.48±0.40(Predicted)
• PSA: 72.91000
• Density: 1.335±0.06 g/cm3(Predicted)
• LogP: 1.45500
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 275.07937252
• Heavy Atom Count: 20
• Complexity: 437

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl 1-phenyl 5-oxo-5,6-dihydropyridine-1,3(4H)-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN(CC(=O)C1)C(=O)OC2=CC=CC=C2

Technology Process of 3-Methyl 1-phenyl 5-oxo-5,6-dihydropyridine-1,3(4H)-dicarboxylate

There total 1 articles about 3-Methyl 1-phenyl 5-oxo-5,6-dihydropyridine-1,3(4H)-dicarboxylate 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: 85.0%

methyl 5-hydroxy-3-pyridinecarboxylate (30766-22-4) + phenyl chloroformate (1885-14-9) → 5-oxo-5,6-dihydro-4H-pyridine-1,3-dicarboxylic acid 3-methyl ester 1-phenyl ester (323201-20-3)

Guidance literature:

With sodium tetrahydroborate; In methanol; at -78 ℃;

DOI:10.1021/ol006810x

upstream raw materials:

methyl 5-hydroxy-3-pyridinecarboxylate

phenyl chloroformate