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CAS Number: 10128-91-3
methyl 2-oxo-1,2-dihydropyridine-3-carboxylate

Structure

 methyl 2-oxo-1,2-dihydropyridine-3-carboxylate
Name: methyl 2-oxo-1,2-dihydropyridine-3-carboxylate
Synonyms:
General Information
Product Number: 10128913
CAS Registry Number: 10128-91-3
Name:
3-​Pyridinecarboxylic acid, 1,​2-​dihydro-​2-​oxo-​, methyl ester
Nicotinic acid, 2-​hydroxy-​, methyl ester (7CI,​8CI); 2-​Hydroxy-​3-​pyridinecarboxylic acid methyl ester; 2-​Hydroxynicotinic acid methyl ester; 3-​Methoxycarbonyl-​2-​pyridone; Methyl 2-​hydroxynicotinate; Methyl 2-​oxo-​1,​2-​dihydro-​pyridine-​3-​carboxylate 
 
Chemical Formula: C7H7NO3
Exact Mass: 153.04
Molecular Weight: 153.14
m/z: 153.04 (100.0%), 154.05 (7.8%)
Elemental Analysis: C, 54.90; H, 4.61; N, 9.15; O, 31.34
 
InChI: InChI=1S/C7H7NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h2-4H,1H3,(H,8,9)
InChIKey: SILBTMNCGYLTOK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=CNC1=O
 
Thermal Properties Value Condition Note
Melting Point 152.1-153.3 °C   (3)CAS
Melting Point 148-151 °C   (4)IC
Melting Point 148-151 °C Solv: benzene (71-43-2) (5)IC
Melting Point 145-148 °C Solv: benzene (71-43-2) (1)IC

Specification

98%
References
  1. (1) Katoh, Akira; Chemical & Pharmaceutical Bulletin 1984, V32(8), P2942-6 CAPLUS
  2. (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  3. (3) Bradlow, H. Leon; Journal of Organic Chemistry 1949, V14, P509-15 CAPLUS
  4. (4) Taylor, Edward C.; Journal of Organic Chemistry 1989, V54(15), P3618-24 CAPLUS
  5. (5) Taylor, Edward C.; EP 265126 A2 1988 CAPLUS
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