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CAS Number: 3731-16-6
ethyl 2-oxopiperidine-3-carboxylate

Structure

ethyl 2-oxopiperidine-3-carboxylate
Name: ethyl 2-oxopiperidine-3-carboxylate
Synonyms:
General Information
Product Number: 3731166

CAS Registry Number 3731-16-6
Name:
3-?Piperidinecarboxylic acid, 2-?oxo-?, ethyl ester
Nipecotic acid, 2-oxo-, ethyl ester (6CI,7CI,8CI)
2-Oxopiperidine-3-carboxylic acid ethyl ester
3-(Ethoxycarbonyl)-2-piperidone
3-Carbethoxy-2-piperidone
Ethyl 2-oxo-3-piperidinecarboxylate

 

Chemical Formula: C8H13NO3
Exact Mass: 171.09
Molecular Weight: 171.19
m/z: 171.09 (100.0%), 172.09 (9.1%)

 

InChI:InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)

InChI Key:DUMNOWYWTAYLJN-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1CCCNC1=O

 

Thermal Properties Value Condition Note
Boiling Point 205-215 °C Press: 12 Torr (1)CAS
Boiling Point 150-160 °C Press: 0.1 Torr (2)CAS
Melting Point 78-80 °C   (2)CAS
Melting Point 78-79 °C   (1)CAS
Melting Point 75-78 °C   (9)CAS
Melting Point 75 °C   (10)CAS

Specification

98%

References
  1. (1) Koelsch, C. F.; Journal of the American Chemical Society 1943, V65, P2458-9 CAPLUS
  2. (2) Sugawa, Toshio; Yakugaku Zasshi 1958, V78, P849-53 CAPLUS
  3. (9) Baker, B. R.; Journal of Organic Chemistry 1952, V17, P132-40 CAPLUS
  4. (10) Nienburg, Hans J.; DE 650999 1937 CAPLUS
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