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CAS Number: 88612-71-9
ethyl 4-oxo-4H-quinolizine-3-carboxylate

Structure

ethyl 4-oxo-4H-quinolizine-3-carboxylate
Name: ethyl 4-oxo-4H-quinolizine-3-carboxylate
Synonyms:
General Information
Product Number: 88612719

CAS Registry Number: 88612-71-9

Name:

4H-​Quinolizine-​3-​carboxylic acid, 4-​oxo-​, ethyl ester
3-​(Ethoxycarbonyl)​-​4H-​quinolizin-​4-​one 

 

Chemical Formula: C12H11NO3
Exact Mass: 217.07
Molecular Weight: 217.22
m/z: 217.07 (100.0%), 218.08 (13.2%), 219.08 (1.4%)

 

InChI: InChI=1S/C12H11NO3/c1-2-16-12(15)10-7-6-9-5-3-4-8-13(9)11(10)14/h3-8H,2H2,1H3
InChIKey: GBDJVIYRDRPISB-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=C2C=CC=CN2C1=O

 

Thermal Properties Value Condition Note
Boiling Point 162-165 °C Press: 2 Torr (1)CAS
Melting Point 115 °C Solv: acetone (67-64-1); ligroine (8032-32-4) (3)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Ohki, Sadao; Pharmaceutical Bulletin 1953, V1, P260-5 CAPLUS
  2. (2) London, Robert E.; US 20020031834 A1 2002 CAPLUS
  3. (3) Bohlmann, Ferdinand; Chemische Berichte 1955, V88, P1831-8 CAPLUS
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