3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-[4-(Trifluoromethyl)Phenyl]Propanoic Acid
[CAS# 477849-00-6]

Identification

• Name: 3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-[4-(Trifluoromethyl)Phenyl]Propanoic Acid
• Synonyms: (R)-3-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid; (S)-3-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid; Boc-R-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid
• Molecular Formula: C₁₅H₁₈F₃NO₄
• Molecular Weight: 333.30
• CAS Registry Number: 477849-00-6
• SMILES: FC(F)(F)c1ccc(cc1)C(NC(=O)OC(C)(C)C)CC(=O)O
• InChI: 1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(8-12(20)21)9-4-6-10(7-5-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)
• InChIKey: WJMVMQYNFZQHGW-UHFFFAOYSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Melting point: 162-164°C (Expl.)
• Boiling point: 432.65°C at 760 mmHg (Cal.)
• Flash point: 215.459°C (Cal.)
• Refractive index: 1.487 (Cal.)