1517-96-0

Basic information

• Product Name: 5(4H)-Isoxazolone, 3-methyl-
• CAS NO: 1517-96-0
• Molecular Formula: C4H5NO2
• Molecular Weight: 99.0892
• Mol File: 1517-96-0.mol

Chemical Properties

• CAS DataBase Reference: 5(4H)-Isoxazolone, 3-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 5(4H)-Isoxazolone, 3-methyl-(1517-96-0)
• EPA Substance Registry System: 5(4H)-Isoxazolone, 3-methyl-(1517-96-0)

Safety Data

• Hazardous Substances Data: 1517-96-0(Hazardous Substances Data)

Upstream product

• 27991-08-8 N-acetoacetylphenylhydroxyloamine 
• 3075-23-8 S-ethyl acetothioacetate 
• 21383-24-4 (5,6-diphenyl-[1,2,4]triazin-3-yl)-hydrazine 
• 16430-09-4 3-methyl-4-(1-phenylmethylidene)-5-isoxazolone 
• 141-97-9 ethyl acetoacetate 

Downstream Products

• 67237-44-9 3-methyl-4-(1-methyl-pyrrol-2-ylmethylene)-4H-isoxazol-5-one 
• 73841-59-5 3-methyl-4-(4-phenyl-piperazin-1-ylmethyl)-2H-isoxazol-5-one 
• 73841-61-9 4-[4-(4-chloro-phenyl)-piperazin-1-ylmethyl]-3-methyl-2H-isoxazol-5-one 
• 73841-60-8 3-methyl-4-(4-o-tolyl-piperazin-1-ylmethyl)-2H-isoxazol-5-one 
• 55865-49-1 3-Methyl-4,1'-methoxyethylidenisoxazolin-5-on 
• 17975-46-1 3-methyl-4-(4-methoxyphenyl)methyleneisoxazole-5(4H)-one 
• 40538-65-6 3-methyl-4-<(phenylamino)methylene>isoxazol-5(4H)-one 
• 96151-79-0 (E)-4-(cyclopropylethylidene)-3-methylisoxazol-5(4H)-one 
• 96151-80-3 (Z)-4-(cyclopropylethylidene)-3-methylisoxazol-5(4H)-one 
• 76003-03-7 3-<3-phenyl-2(E)-propen-1-yl>-6-phenyl-5(E)-hexen-2-one 
• 97288-78-3 2-Benzoyl-3-methylisoxazol-5(2H)-one 
• 111461-13-3 3-methylisoxazol-5-yl benzoate 
• 16430-09-4 3-methyl-4-(1-phenylmethylidene)-5-isoxazolone 
• 85965-77-1 trans-hydrido(3-CH₃-4,5-dihydrido-5-oxoisoxazol-4-yl)bis(triphenylphosphan)platin(II) 

Relevant articles and documents

A Continuous Flow Process for the Synthesis of Hymexazol

Hymexazol is an efficient and low-toxicity soil fungicide. In this work, a fully continuous flow process for the synthesis of hymexazol has been developed. This process begins with combining ethyl acetoacetate and hydroxylamine hydrochloride to form a hydroxamic acid intermediate. The reaction solution is then quenched with concentrated hydrochloric acid to obtain the final product, hymexazol. Under the optimized process conditions, the total yield of the target product reached 86%. In addition, production was successfully scaled-up to a kilogram scale. The continuous flow method not only greatly decreases the reaction time but also significantly inhibits the side reactions.

Reactions of 3-Hydrazino-5,6-diphenyl-1,2,4-triazine with 4-Arylidene-2-phenyl-5(4H)-oxazolones and 4-Benzylidene-3-methyl-5(4H)-isoxazolone

3-Hydrazino-5,6-diphenyl-1,2,4-triazine reacts with 4-arylidene-2-phenyl-5(4H)-oxazolones in toluene to give substituted acrylic acid hydrazides, and in glacial acetic acid to give substituted imidazolones.On the other hand the hydrazinotriazine reacts wi

Nuclear magnetic resonance study of addition-cyclization involving ethyl thioacetoacetate and α-nucleophiles

Addition of NH2NH2 or NH2OH to ethyl thioacetoacetate to form the corresponding cyclic product, 3-methylpyrazol-5-one or 3-methylisoxazol-5-one proceeds via cyclization of the carbinolamine formed by addition to the β-keto carbon, i.e., cyclization is faster than dehydration of the carbinolamine to form the imine.In contrast the corresponding carbinolamine derived from ethylacetoacetate undergoes dehydration faster than cyclization.By means of 1H nuclear magnetic resonance spectroscopy, it is possible to detect the cyclic carbinolamine as well as another transient and measure their rates of decay.Based on these results, a mechanism is proposed.