(3S,4R)-4-(3-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid
[CAS# 939757-91-2]

Identification

• Name: (3S,4R)-4-(3-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid
• Synonyms: Boc-(±)-trans-4-(3-chloro-phenyl)-pyrrolidine-3-carboxylic acid; Boc-(trans-4-(3-chloro-phenyl)-pyrrolidine-3-carboxylic acid
• Molecular Formula: C₁₆H₂₀ClNO₄
• Molecular Weight: 325.79
• CAS Registry Number: 939757-91-2
• SMILES: Clc1cccc(c1)[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)18-8-12(13(9-18)14(19)20)10-5-4-6-11(17)7-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
• InChIKey: JWDQWZPPUIYEEZ-QWHCGFSZSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 464.399°C at 760 mmHg (Cal.)
• Flash point: 234.661°C (Cal.)
• Refractive index: 1.558 (Cal.)