(3S,4R)-4-(2-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid
[CAS# 939757-93-4]

Identification

• Name: (3S,4R)-4-(2-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid
• Synonyms: [150281-45-1]; 1-[(tert-Butyl)oxycarbonyl]-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
• Molecular Formula: C₁₆H₂₀ClNO₄
• Molecular Weight: 325.79
• CAS Registry Number: 939757-93-4
• SMILES: Clc1ccccc1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O
• InChI: 1S/C16H20ClNO4/c1-16(2,3)22-15(21)18-8-11(12(9-18)14(19)20)10-6-4-5-7-13(10)17/h4-7,11-12H,8-9H2,1-3H3,(H,19,20)/t11-,12+/m0/s1
• InChIKey: PGJXFBYJBMDMRZ-NWDGAFQWSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 452.671°C at 760 mmHg (Cal.)
• Flash point: 227.568°C (Cal.)
• Refractive index: 1.558 (Cal.)