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CAS Number: 66171-50-4
methyl 6-oxo-1,6-dihydropyridine-3-carboxylate

Structure

methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
Name: methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
Synonyms:
General Information
Product Number: 66171504

CAS Registry Number: 66171-50-4

Name:

3-​Pyridinecarboxylic acid, 1,​6-​dihydro-​6-​oxo-​, methyl ester
Nicotinic acid, 1,​6-​dihydro-​6-​oxo-​, methyl ester (6CI); 5-​(Methoxycarbonyl)​-​2(1H)​-​pyridinone; 5-​Methoxycarbonyl-​2(1H)​-​pyridone; 5-​Methoxycarbonyl-​2-​pyridone; 6-​Hydroxynicotinic acid methyl ester; 6-​Oxo-​1,​6-​dihydropyridine-​3-​carboxylic acid methyl ester; Methyl 2-​hydroxy-​5-​pyridinecarboxylate; Methyl 6-​hydroxy-​3-​pyridinecarboxylate; Methyl 6-​hydroxynicotinate; Methyl 6-​oxo-​1,​6-​dihydropyridine-​3-​carboxylate; Methyl pyridin-​2-​one-​5-​carboxylate; NSC 78315 

 

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)5-2-3-6(9)8-4-5/h2-4H,1H3,(H,8,9)
InChIKey: JTVVPKLHKMKWNN-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CNC(=O)C=C1

 

Thermal Properties Value Condition Note
Melting Point 166.1-167.5 °C   (3)CAS
Melting Point 163 °C   (4)IC
Melting Point 162-164.5 °C   (1)CAS

Specification

98%

References
  1. (1) Goegsig, Thomas M.; Chemistry - A European Journal 2009, V15(24), P5950-5955, S5950/1-S5950/89 CAPLUS
  2. (2) Payne, Richard J.; Organic & Biomolecular Chemistry 2010, V8(15), P3534-3542 CAPLUS
  3. (3) Bradlow, H. Leon; Journal of Organic Chemistry 1949, V14, P509-15 CAPLUS
  4. (4) Sainte, Francy; Journal of the American Chemical Society 1982, V104(5), P1428-30 CAPLUS
  5. (5) Stout, David M.; US 4555517 A 1985 CAPLUS
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