Methyl 3-methyl-1,2-oxazole-4-carboxylate
[CAS# 92234-50-9]

Identification

• Name: Methyl 3-methyl-1,2-oxazole-4-carboxylate
• Synonyms: 3-Methylisoxazole-4-carboxylic acid methyl ester; InChI=1/C6H7NO3/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3; methyl 3-methylisoxazole-4-carboxylate
• Molecular Formula: C₆H₇NO₃
• Molecular Weight: 141.12
• CAS Registry Number: 92234-50-9
• SMILES: CC1=NOC=C1C(=O)OC
• InChI: 1S/C6H7NO3/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3
• InChIKey: QLWCWMCZEGJNQO-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 208.8±20.0°C at 760 mmHg (Cal.)
• Flash point: 80.1±21.8°C (Cal.)

References

• (1): Connie K. Y. Lee, Christopher J. Easton, Mariana Gebara-Coghlan, Leo Radom, Anthony P. Scott, Gregory W. Simpson and Anthony C. Willis. Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors, J. Chem. Soc., Perkin Trans. 2, 2002, 0, 2031.