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CAS Number: 18617-50-0
ethyl 6-oxo-1,6-dihydropyridine-3-carboxylate

Structure

 ethyl 6-oxo-1,6-dihydropyridine-3-carboxylate
Name: ethyl 6-oxo-1,6-dihydropyridine-3-carboxylate
Synonyms:
General Information
Product Number: 18617500
CAS Registry Number: 18617-50-0
Name:
        3-​Pyridinecarboxylic acid, 1,​6-​dihydro-​6-​oxo-​, ethyl ester
        Nicotinic acid, 1,​6-​dihydro-​6-​oxo-​, ethyl ester (6CI,​8CI); 6-​Hydroxynicotinic acid ethyl ester; Ethyl 6-​hydroxynicotinate; NSC 165472; NSC 165477; NSC 165478; NSC 165497 
        Deleted CAS Registry Numbers: 40975-​39-​1
 
Chemical Formula: C8H9NO3
Exact Mass: 167.06
Molecular Weight: 167.16
m/z: 167.06 (100.0%), 168.06 (9.2%)
Elemental Analysis: C, 57.48; H, 5.43; N, 8.38; O, 28.71
 
InChI: InChI=1S/C8H9NO3/c1-2-12-8(11)6-3-4-7(10)9-5-6/h3-5H,2H2,1H3,(H,9,10)
InChIKey: YYNSXKLGLKOLQZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CNC(=O)C=C1
 
Thermal Properties Value Condition Note
Melting Point 155-156 °C Solv: chloroform (67-66-3) (1)CAS
Melting Point 150 °C   (4)CAS
Melting Point 149-151 °C   (5)CAS
Melting Point 149-150 °C   (6)CAS
Melting Point 149-150 °C Solv: ligroine (8032-32-4) (3)IC
 

Specification

98%
References
  1. (1) Sobczak, Adam; Synthetic Communications 2005, V35(23), P2993-3001 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Hirota, Kosaku; Journal of Organic Chemistry 1985, V50(9), P1512-16 CAPLUS
  4. (4) Rath, C.; Justus Liebigs Annalen der Chemie 1931, V487, P127-34 CAPLUS
  5. (5) Dummel, Robert J.; Journal of Organic Chemistry 1959, V24, P1007-8 CAPLUS
  6. (6) Gault, Henry; Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles 1968, V266(2), P131-4 CAPLUS
  7. (7) Boekelheide, V.; Journal of Organic Chemistry 1961, V26, P428-30 CAPLUS
  8. (8) Maurer, Fritz; EP 268964 A1 1988 CAPLUS
  9. (9) Stout, David M.; US 4555517 A 1985 CAPLUS
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