N-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Phenylalanine
[CAS# 197245-19-5]

Identification

• Name: N-{[(1,1-Dioxido-1-Benzothiophen-2-Yl)Methoxy]Carbonyl}-L-Phenylalanine
• Synonyms: (2S)-2-{[(1,1-dioxobenzo[d]thiol-2-yl)methoxy]carbonylamino}-3-phenylpropanoicacid; Bsmoc-Phe-OH; N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-phenylalanine
• Molecular Formula: C₁₉H₁₇NO₆S
• Molecular Weight: 387.41
• CAS Registry Number: 197245-19-5
• SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC3=CC=CC=C3S2(=O)=O
• InChI: 1S/C19H17NO6S/c21-18(22)16(10-13-6-2-1-3-7-13)20-19(23)26-12-15-11-14-8-4-5-9-17(14)27(15,24)25/h1-9,11,16H,10,12H2,(H,20,23)(H,21,22)/t16-/m0/s1
• InChIKey: DWLKZXPISLVRER-INIZCTEOSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 167-169°C (Expl.)
• Boiling point: 670.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 359.3±31.5°C (Cal.)
• Refractive index: 1.637 (Cal.)