2-Methyl-2-propanyl (2-oxo-2-phenylethyl)carbamate
[CAS# 76477-26-4]

Identification

• Name: 2-Methyl-2-propanyl (2-oxo-2-phenylethyl)carbamate
• Synonyms: (2-Oxo-2-phenyl-ethyl)-carbamic acid tert-butyl ester; (2-OXO-2-PHENYL-ETHYL)-CARBAMICACIDTERT-BUTYLESTER; InChI=1/C13H17NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)/f/h14H
• Molecular Formula: C₁₃H₁₇NO₃
• Molecular Weight: 235.28
• CAS Registry Number: 76477-26-4
• SMILES: CC(C)(C)OC(=O)NCC(=O)C1=CC=CC=C1
• InChI: 1S/C13H17NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)
• InChIKey: ODIKTWMCZYPCKQ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 371.7±25.0°C at 760 mmHg (Cal.)
• Flash point: 178.6±23.2°C (Cal.)

References

• (1): Aparecida M. Kawamoto and Martin Wills. Enantioselective synthesis of ß-hydroxy amines and aziridines using asymmetric transfer hydrogenation of a-amino ketones, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 1916.