Methyl 3-Acetyl-1,2-Oxazole-5-Carboxylate
[CAS# 359689-20-6]

Identification

• Name: Methyl 3-Acetyl-1,2-Oxazole-5-Carboxylate
• Synonyms: InChI=1/C7H7NO4/c1-4(9)5-3-6(12-8-5)7(10)11-2/h3H,1-2H3; methyl 3-acetylisoxazole-5-carboxylate
• Molecular Formula: C₇H₇NO₄
• Molecular Weight: 169.13
• CAS Registry Number: 359689-20-6
• SMILES: CC(=O)C1=NOC(=C1)C(=O)OC
• InChI: 1S/C7H7NO4/c1-4(9)5-3-6(12-8-5)7(10)11-2/h3H,1-2H3
• InChIKey: UJHMNWHOSURUON-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 318.4±27.0°C at 760 mmHg (Cal.)
• Flash point: 146.4±23.7°C (Cal.)
• Refractive index: 1.482 (Cal.)

References

• (1): Christopher J. Easton, Graham A. Heath, C. Merrîcc M. Hughes, Connie K. Y. Lee, G. Paul Savage, Gregory W. Simpson, Edward R. T. Tiekink, George J. Vuckovic and Richard D. Webster. Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 1168.