中文版English

CAS Number: 13221-89-1
methyl 1-methyl-4-oxopiperidine-3-carboxylate

Structure

methyl 1-methyl-4-oxopiperidine-3-carboxylate
Name: methyl 1-methyl-4-oxopiperidine-3-carboxylate
Synonyms:
General Information
Product Number: 13221891
CAS Registry Number: 13221-89-1
Name:
3-​Piperidinecarboxylic acid, 1-​methyl-​4-​oxo-​, methyl ester
Nipecotic acid, 1-​methyl-​4-​oxo-​, methyl ester (6CI,​7CI,​8CI); 1-​Methyl-​3-​carbomethoxy-​4-​piperidinone; 1-​Methyl-​3-​methoxycarbonylpiper​idin-​4-​one; 1-​Methyl-​4-​oxo-​3-​piperidinecarboxylic acid methyl ester; 3-​Carbomethoxy-​N-​methyl-​4-​piperidinone; N-​Methyl-​3-​carbomethoxy-​4-​piperidinone 
Deleted CAS Registry Numbers: 56026-​45-​0
 
Chemical Formula: C8H13NO3
Exact Mass: 171.09
Molecular Weight: 171.19
m/z: 171.09 (100.0%), 172.09 (9.1%)
Elemental Analysis: C, 56.13; H, 7.65; N, 8.18; O, 28.04
 
InChI: InChI=1S/C8H13NO3/c1-9-4-3-7(10)6(5-9)8(11)12-2/h6H,3-5H2,1-2H3
InChIKey: BKCOINBLEJIZGR-UHFFFAOYSA-N
Canonical SMILES : CN1CCC(=O)C(C1)C(=O)OC
 
Thermal Properties Value Condition Note
Boiling Point 87-88 °C Press: 4.5 Torr (1)CAS
Boiling Point 78-79.5 °C Press: 3 Torr (2)CAS
Melting Point 186 °C   (5)CAS

Specification

98%

References
  1. (1) Cook, A. H.; Journal of the Chemical Society 1945, P399-402 CAPLUS
  2. (2) Howton, David R.; Journal of Organic Chemistry 1945, V10, P277-82 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Jeske, Jozef; Farmacja Polska 1973, V29(10), P873-9 CAPLUS
  5. (5) Dobrowsky, A.; Monatshefte fuer Chemie 1952, V83, P443-7 CAPLUS
Contact Us
TEL:  86-17758012822
FAX:  86-571-87759731
E-mail:sales@hzchempro.com
[ CLOSE ]