N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Phenylalanine
[CAS# 121695-40-7]

Identification

• Name: N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Phenylalanine
• Synonyms: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid; (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid; (S)-2-(tert-butoxycarbonylamino)-3-phenylpropanoic acid
• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.30
• CAS Registry Number: 121695-40-7
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
• InChI: 1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
• InChIKey: ZYJPUMXJBDHSIF-NSHDSACASA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 86°C (Expl.)
• Boiling point: 426.6±38.0°C at 760 mmHg (Cal.)
• Flash point: 211.8±26.8°C (Cal.)
• Refractive index: 1.528 (Cal.)
• solubility: 1 mmole in 2 ml DMF clearly soluble

Safety Data

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

References

• (1): T. Itou, Y. Yoshimi, K. Nishikawa, T. Morita, Y. Okada, N. Ichinose and M. Hatanaka. A mild deuterium exchange reaction of free carboxylic acids by photochemical decarboxylation , Chem. Commun., 2010