(5S)-1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-5-Phenyl-D-Proline
[CAS# 158706-46-8]

Identification

• Name: (5S)-1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-5-Phenyl-D-Proline
• Synonyms: (2R,5S)-1-(tert-butoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid; Boc-(2R,5S)-5-phenylpyrrolidine-2-carboxylic acid; Boc-(2R,5S)-5-phenyl-pyrrolidine-2-carboxylic acid
• Molecular Formula: C₁₆H₂₁NO₄
• Molecular Weight: 291.34
• CAS Registry Number: 158706-46-8
• SMILES: CC(C)(C)OC(=O)N1[C@@H](CC[C@@H]1C(=O)O)c2ccccc2
• InChI: 1S/C16H21NO4/c1-16(2,3)21-15(20)17-12(9-10-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m0/s1
• InChIKey: ADTXMICUZGOWDF-QWHCGFSZSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 441.471°C at 760 mmHg (Cal.)
• Flash point: 220.794°C (Cal.)
• Refractive index: 1.549 (Cal.)

Safety Data

• Safety Description: IRRITANT