2-Methyl-2-propanyl [(2R,3S)-7-fluoro-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]carbamate
[CAS# 889459-37-4]

Identification

• Name: 2-Methyl-2-propanyl [(2R,3S)-7-fluoro-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]carbamate
• Synonyms: (6R,7S)-(2-Fluoro-6-methyl-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-7-yl)-carbamic acid tert-butyl ester; (6R,7S)-7-(Boc-amino)-2-fluoro-6-methyl-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-azabenzocyclohepten
• Molecular Formula: C₁₅H₁₉FN₂O₄
• Molecular Weight: 310.32
• CAS Registry Number: 889459-37-4
• SMILES: CC(C)(C)OC(=O)N[C@@H]1C(=O)Nc2cc(F)ccc2O[C@@H]1C
• InChI: 1S/C15H19FN2O4/c1-8-12(18-14(20)22-15(2,3)4)13(19)17-10-7-9(16)5-6-11(10)21-8/h5-8,12H,1-4H3,(H,17,19)(H,18,20)/t8-,12+/m1/s1
• InChIKey: JZFUCZIHNFLBSM-PELKAZGASA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 468.423°C at 760 mmHg (Cal.)
• Flash point: 237.094°C (Cal.)
• Refractive index: 1.541 (Cal.)