(3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
[CAS# 1002732-10-6]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Carboxylic acid
• Name: (3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
• Synonyms: Boc-(3S,4R)-beta-Pro-4-(4-fluorophenyl)-OH
• Molecular Formula: C₁₆H₂₀F₃NO₄
• Molecular Weight: 309.33
• CAS Registry Number: 1002732-10-6
• SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=C(C=C2)F

Properties

• Solubility: 22.09 mg/L (25 ºC water)
• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.537, Calc.^*
• Melting point: 159.84 ºC
• Boiling Point: 439.9±45.0 ºC (760 mmHg), Calc.^*, 399.58 ºC
• Flash Point: 219.9±28.7 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501