5-Bromo-alpha-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-(alphaS)-2-Thiophenepropanoicacid
[CAS# 190319-95-0]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> BOC-amino acid
• Name: 5-Bromo-alpha-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-(alphaS)-2-Thiophenepropanoicacid
• Synonyms: (2S)-3-(5-Bromo-2-Thienyl)-2-(Tert-Butoxycarbonylamino)Propanoate; (2S)-3-(5-Bromo-2-Thienyl)-2-[(Tert-Butoxy-Oxomethyl)Amino]Propanoate; (2S)-3-(5-Bromo-2-Thienyl)-2-(Tert-Butoxycarbonylamino)Propionate
• Molecular Formula: C₁₂H₁₅BrNO₄S
• Molecular Weight: 349.22
• CAS Registry Number: 190319-95-0
• SMILES: [C@H](NC(OC(C)(C)C)=O)(CC1=CC=C(Br)S1)C([O-])=O
• InChI: 1S/C12H16BrNO4S/c1-12(2,3)18-11(17)14-8(10(15)16)6-7-4-5-9(13)19-7/h4-5,8H,6H2,1-3H3,(H,14,17)(H,15,16)/p-1/t8-/m0/s1
• InChIKey: HHNNFRCLMQFXBA-QMMMGPOBSA-M

Properties

• Boiling point: 473.822°C at 760 mmHg (Cal.)
• Flash point: 240.359°C (Cal.)