Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate

Base Information

• Chemical Name: Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate
• CAS No.: 89937-77-9
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 2933399090
• NSC Number: 132887
• DSSTox Substance ID: DTXSID60299796
• Nikkaji Number: J496.407A
• Wikidata: Q82042451
• Mol file: 89937-77-9.mol

Synonyms:89937-77-9;methyl 1,2-dihydro-2-oxopyridine-4-carboxylate;methyl 2-oxo-1,2-dihydropyridine-4-carboxylate;Methyl 2-hydroxypyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate;MFCD09258780;4-PYRIDINECARBOXYLIC ACID, 1,2-DIHYDRO-2-OXO-, METHYL ESTER;METHYL 2-HYDROXY-4-PYRIDINECARBOXYLATE;methyl 2-hydroxyisonicotinate;NSC132887;methyl-2-hydroxyisonicotinate;SCHEMBL200699;DTXSID60299796;DATHOCDTDDUESC-UHFFFAOYSA-N;MFCD00229828;AKOS006346508;AKOS024461905;2-Hydroxyisonicotinic acid methyl ester;CS-W003594;FS-2963;NSC-132887;PB32713;2-hydroxy-isonicotinic acid methyl ester;AC-22774;SY027263;AM20061672;FT-0645545;EN300-115261;methyl 2-oxo-1,2-dihydro-4-pyridinecarboxylate;methyl-2-oxo-1,2-dihydropyridine-4-carboxylate;J-521740;2-oxo-1,2-dihydro-pyridine-4-carboxylic acid methyl ester;2-Oxo-1,2-dihydropyridine-4-carboxylic acid methyl ester

Chemical Property of Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate

Chemical Property:

• Vapor Pressure: 7.53E-05mmHg at 25°C
• Melting Point: 211-212 °C
• Refractive Index: 1.517
• Boiling Point: 342.4 °C at 760 mmHg
• PKA: 11.02±0.10(Predicted)
• Flash Point: 160.9 °C
• PSA: 59.16000
• Density: 1.263g/cm³
• LogP: 0.16150
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 252

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=O)NC=C1

Technology Process of Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate

There total 14 articles about Methyl 1,2-dihydro-2-oxopyridine-4-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: 94.0%

methyl 2-(acetyloxy)-4-pyridinecarboxylate (1160938-15-7) → methyl 2-oxo-1,2-dihydropyridine-4-carboxylate (89937-77-9)

Guidance literature:

With methanol; at 73 ℃; for 18h;

Reference yield: 82.0%

methanol (67-56-1) + 2-hydroxyisonicotinic acid (22282-72-0) → methyl 2-hydroxypyridine-4-carboxylate (89937-77-9)

Guidance literature:

sulfuric acid; Heating / reflux;

Reference yield: 77.0%

methanol (67-56-1) + 2-hydroxyisonicotinic acid (22282-72-0) → methyl 2-oxo-1,2-dihydropyridine-4-carboxylate (89937-77-9)

Guidance literature:

methanol; With acetyl chloride; at 0 - 20 ℃;

2-hydroxyisonicotinic acid; With hydrogenchloride; In acetic acid methyl ester; at 20 ℃; for 16h;

upstream raw materials:

methanol

2-hydroxyisonicotinic acid

methyl isonicotinate N-oxide

2-chloroisonicotinic acid,

Downstream raw materials:

4-hydroxymethylpyridin-2-ol

methyl 1-(4-methoxy-3-methylphenyl)-2-oxo-1,2-dihydropyridine-4-carboxylate

methyl 1-(3-methoxy-4-((2-(trimethylsilyl)ethoxy)methoxy)phenyl)-2-oxo-1,2-dihydropyridine-4-carboxylate

(2-(difluoromethoxy)pyridin-4-yl)methanol

Refernces

• 1、 -. "MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS". Paragraph 00909. . Retrieved 2018/09/12.
• 2、 -. "3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS". Page/Page column 37; 38. . Retrieved 2018/04/11.