Methyl 4-Bromo-3-Oxo-Butanoate
[CAS# 17790-81-7]

Identification

• Name: Methyl 4-Bromo-3-Oxo-Butanoate
• Synonyms: Methyl 4-Bromo-3-Oxo-Butanoate; 4-Bromo-3-Oxobutanoic Acid Methyl Ester; 4-Bromo-3-Keto-Butyric Acid Methyl Ester
• Molecular Formula: C₅H₇BrO₃
• Molecular Weight: 195.01
• CAS Registry Number: 17790-81-7
• SMILES: C(C(OC)=O)C(=O)CBr
• InChI: 1S/C5H7BrO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
• InChIKey: CZRWOPRGDPUSDE-UHFFFAOYSA-N

Properties

• Density: 1.562g/cm³ (Cal.)
• Boiling point: 213.447°C at 760 mmHg (Cal.)
• Flash point: 82.89°C (Cal.)

References

• (1): Pradeep Cheruku, Alexander Paptchikhine, Muhammad Ali, Jörg-M. Neudörfl and Pher G. Andersson. Development of new thiazole-based iridiumcatalysts and their applications in the asymmetric hydrogenation of trisubstituted olefins, Org. Biomol. Chem., 2008, 6, 366.