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CAS Number: 100134-82-5
benzyl 2-cyanopropan-2-ylcarbamate

Structure

benzyl 2-cyanopropan-2-ylcarbamate
Name: benzyl 2-cyanopropan-2-ylcarbamate
Synonyms:
General Information
Product Number: 100134825
CAS Number:
100134-82-5
Name:
Carbamicacid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester
Formula:
C12H14N2O2
Molecular Weight:
218.25
Synonyms:
Carbamicacid, (1-cyano-1-methylethyl)-, benzyl ester (6CI);Carbamic acid,(1-cyano-1-methylethyl)-, phenylmethyl ester (9CI);
InChI: InChI=1S/C12H14N2O2/c1-12(2,9-13)14-11(15)16-8-10-6-4-3-5-7-10/h3-7H,
8H2,1-2H3,(H,14,15)
InChIKey: DJQKBMUYZUEUBU-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C#N)NC(=O)OCC1=CC=CC=C1
 
 
Thermal Properties Value Condition Note
Melting Point 101.0-101.7 °C   (4)CAS
Melting Point 97 °C   (5)CAS

Specification

98%

References
  1. (1) Pace, Paola; Journal of Medicinal Chemistry 2007, V50(9), P2225-2239 CAPLUS
  2. (2) Summa, Vincenzo; Journal of Medicinal Chemistry 2008, V51(18), P5843-5855 CAPLUS
  3. (3) Crescenzi, Benedetta; WO 2003035077 A1 2003 CAPLUS
  4. (4) Humphrey, Guy R.; Organic Process Research & Development 2011, V15(1), P73-83 CAPLUS
  5. (5) Ehrensvard, Gosta; Arkiv foer Kemi, Mineralogi och Geologi 1946, V24A(No. 6), P10 pp. CAPLUS
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