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CAS Number: 918431-93-3
tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate

Structure

tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate
Name: tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate
Synonyms:
General Information
Product Number: 918431933
CAS Number:
918431-93-3
Name:
1-Piperidinecarboxylic acid, 4-cyano-4-fluoro-, 1,1-dimethylethyl ester
 
Chemical Formula: C11H17FN2O2
Exact Mass: 228.13
Molecular Weight: 228.26
m/z: 228.13 (100.0%), 229.13 (12.2%), 230.13 (1.2%)
Elemental Analysis: C, 57.88; H, 7.51; F, 8.32; N, 12.27; O, 14.02
 
InChI: InChI=1S/C11H17FN2O2/c1-10(2,3)16-9(15)14-6-4-11(12,8-13)5-7-14/h4-7H2,1-3H3
InChIKey: AWCPTQNVIPVQQQ-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC(CC1)(C#N)F
 
Thermal Properties Value Condition Note
Melting Point 74.6-76.1 °C   (1)CAS

Specification

98%

References
  1. (1) Verniest, Guido; Organic & Biomolecular Chemistry 2010, V8(11), P2509-2512 CAPLUS
  2. (2) Shipe, William D.; Journal of Medicinal Chemistry 2008, V51(13), P3692-3695 CAPLUS
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