111461-13-3

Basic information

• Product Name: 5-Isoxazolol, 3-methyl-, benzoate (ester)
• CAS NO: 111461-13-3
• Molecular Formula: C11H9NO3
• Molecular Weight: 203.197
• Mol File: 111461-13-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 5-Isoxazolol, 3-methyl-, benzoate (ester)(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Isoxazolol, 3-methyl-, benzoate (ester)(111461-13-3)
• EPA Substance Registry System: 5-Isoxazolol, 3-methyl-, benzoate (ester)(111461-13-3)

Safety Data

• Hazardous Substances Data: 111461-13-3(Hazardous Substances Data)

Upstream product

• 29871-83-8 3-methyl-2H-isoxazol-5-one 
• 98-88-4 benzoyl chloride 
• 1517-96-0 3-methyl-5-isoxazolone 

Downstream Products

• 99972-55-1 (5-hydroxy-3-methylisoxazol-4-yl)(phenyl)methanone 

Relevant articles and documents

The synthesis of oxazoles by thermolysis or photolysis of 2-acylisoxazol-5-ones

N-acylisoxazol-5-ones are converted into the corresponding 2-substituted oxazoles by photolysis at 300 or 254 nm, or by flash vacuum pyrolysis. The former procedure is favoured for isoxazolones with electron withdrawing groups at C-4, and pyrolysis for all others.

An Efficient Synthesis of 4-Acyl-5-hydroxy-3-methylisoxazoles through an Acyl-Transfer Reaction

Acylation of 3-methyl-3-isoxazolin-5-one (2a) with acyl chlorides was investigated. 2-Acyl-3-methyl-3-isoxazolin-5-ones 5 and 5-acyloxy-3-methylisoxazoles 6, which were prepared from 2a and acyl halides, underwent acyl-transfer reaction in the presence of