Butyl (2S)-2-[[(E)-5-Furan-2-Yl-3-Oxopent-4-Enyl]Amino]-3-Phenylpropanoate
[CAS# 159086-03-0]

Identification

• Name: Butyl (2S)-2-[[(E)-5-Furan-2-Yl-3-Oxopent-4-Enyl]Amino]-3-Phenylpropanoate
• Synonyms: Butyl (2S)-2-[[(E)-5-(2-Furyl)-3-Oxo-Pent-4-Enyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[(E)-5-(2-Furyl)-3-Oxopent-4-Enyl]Amino]-3-Phenylpropanoic Acid Butyl Ester; (2S)-2-[[(E)-5-(2-Furyl)-3-Keto-Pent-4-Enyl]Amino]-3-Phenyl-Propionic Acid Butyl Ester
• Molecular Formula: C₂₂H₂₇NO₄
• Molecular Weight: 369.46
• CAS Registry Number: 159086-03-0
• SMILES: [C@H](C(=O)OCCCC)(NCCC(\C=C\C1=CC=CO1)=O)CC2=CC=CC=C2
• InChI: 1S/C22H27NO4/c1-2-3-15-27-22(25)21(17-18-8-5-4-6-9-18)23-14-13-19(24)11-12-20-10-7-16-26-20/h4-12,16,21,23H,2-3,13-15,17H2,1H3/b12-11+/t21-/m0/s1
• InChIKey: MDNDOHPJDIDCLS-VIOKTNGOSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 521.178°C at 760 mmHg (Cal.)
• Flash point: 268.999°C (Cal.)