Benzyl (2R)-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)(4-{[(Trifluoromethyl)Sulfonyl]Oxy}Phenyl)Acetate
[CAS# 176505-40-1]

Identification

• Name: Benzyl (2R)-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)(4-{[(Trifluoromethyl)Sulfonyl]Oxy}Phenyl)Acetate
• Synonyms: (S)-benzyl 2-(tert-butoxycarbonylamino)-2-(4-(trifluoromethylsulfonyloxy)phenyl)acetate; BENZENEACETIC ACID, A-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-4-[[(TRIFLUOROMETHYL)SULFONYL]OXY]-,PHENYLMETHYL ESTER, (AS)-
• Molecular Formula: C₂₁H₂₂F₃NO₇S
• Molecular Weight: 489.46
• CAS Registry Number: 176505-40-1
• SMILES: O=S(=O)(Oc1ccc(cc1)C(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)C(F)(F)F
• InChI: 1S/C21H22F3NO7S/c1-20(2,3)31-19(27)25-17(18(26)30-13-14-7-5-4-6-8-14)15-9-11-16(12-10-15)32-33(28,29)21(22,23)24/h4-12,17H,13H2,1-3H3,(H,25,27)
• InChIKey: CQHCTGLTGKBCGE-UHFFFAOYSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 566.386°C at 760 mmHg (Cal.)
• Flash point: 296.34°C (Cal.)
• Refractive index: 1.531 (Cal.)