(3S,4R)-4-(4-Bromophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid
[CAS# 939757-97-8]

Identification

• Name: (3S,4R)-4-(4-Bromophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid
• Synonyms: Boc-(trans-4-(4-bromo-phenyl)-pyrrolidine-3-carboxylic acid; Trans-4-(4-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid
• Molecular Formula: C₁₆H₂₀BrNO₄
• Molecular Weight: 370.24
• CAS Registry Number: 939757-97-8
• SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=C(C=C2)Br
• InChI: 1S/C16H20BrNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-4-6-11(17)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
• InChIKey: MXJJJGPIDKFWKX-QWHCGFSZSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 478.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 243.2±28.7°C (Cal.)
• Refractive index: 1.569 (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract