4-[[4-(Acetyloxy)-3-Methoxyphenyl]Methylene]-2-Methyloxazol-5(4H)-One
[CAS# 39600-31-2]

Identification

• Name: 4-[[4-(Acetyloxy)-3-Methoxyphenyl]Methylene]-2-Methyloxazol-5(4H)-One
• Synonyms: [2-Methoxy-4-[(Z)-(2-Methyl-5-Oxo-1,3-Oxazol-4-Ylidene)Methyl]Phenyl] Acetate; [2-Methoxy-4-[(Z)-(2-Methyl-5-Oxo-Oxazol-4-Ylidene)Methyl]Phenyl] Acetate; [2-Methoxy-4-[(2-Methyl-5-Oxo-Oxazol-4-Ylidene)Methyl]Phenyl] Acetate
• Molecular Formula: C₁₄H₁₃NO₅
• Molecular Weight: 275.26
• CAS Registry Number: 39600-31-2
• SMILES: C1=CC(=C(C=C1/C=C2/C(=O)OC(=N2)C)OC)OC(=O)C
• InChI: 1S/C14H13NO5/c1-8-15-11(14(17)19-8)6-10-4-5-12(20-9(2)16)13(7-10)18-3/h4-7H,1-3H3/b11-6-
• InChIKey: VRLBAMQNHIJOSI-WDZFZDKYSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 381.324°C at 760 mmHg (Cal.)
• Flash point: 166.689°C (Cal.)

References

• (1): X. Wang, M. Zhang, Z. Qi and S. Ma. 2-Methoxy-4-[2-methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl acetate, Acta Cryst. (2005). E61, o1265-o1266