Benzyl (2S)-3-(4-Biphenylyl)-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoate
[CAS# 153037-45-7]

Identification

• Name: Benzyl (2S)-3-(4-Biphenylyl)-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoate
• Synonyms: (S)-benzyl 3-(biphenyl-4-yl)-2-(tert-butoxycarbonylamino)propanoate
• Molecular Formula: C₂₇H₂₉NO₄
• Molecular Weight: 431.52
• CAS Registry Number: 153037-45-7
• SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OCc1ccccc1)Cc3ccc(c2ccccc2)cc3
• InChI: 1S/C27H29NO4/c1-27(2,3)32-26(30)28-24(25(29)31-19-21-10-6-4-7-11-21)18-20-14-16-23(17-15-20)22-12-8-5-9-13-22/h4-17,24H,18-19H2,1-3H3,(H,28,30)/t24-/m0/s1
• InChIKey: LCBKAVCSXVIXIJ-DEOSSOPVSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 593.258°C at 760 mmHg (Cal.)
• Flash point: 312.592°C (Cal.)
• Refractive index: 1.568 (Cal.)

References

• (1): Neil Colgin, Tony Flinn and Steven L. Cobb. Synthesis and properties of MIDA boronate containing aromatic amino acids: New peptide building blocks, Org. Biomol. Chem., 2011, 9, 1864.