253609-88-0

Basic information

• Product Name: 3-(2,6-dichloro-phenyl)-5,7a-diethyl-3a,7a-dihydro-benzo[d]isoxazole-4,7-dione
• Synonyms: 3-(2,6-dichloro-phenyl)-5,7a-diethyl-3a,7a-dihydro-benzo[d]isoxazole-4,7-dione
• CAS NO: 253609-88-0
• Molecular Weight: 352.217
• Mol File: 253609-88-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-(2,6-dichloro-phenyl)-5,7a-diethyl-3a,7a-dihydro-benzo[d]isoxazole-4,7-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,6-dichloro-phenyl)-5,7a-diethyl-3a,7a-dihydro-benzo[d]isoxazole-4,7-dione(253609-88-0)
• EPA Substance Registry System: 3-(2,6-dichloro-phenyl)-5,7a-diethyl-3a,7a-dihydro-benzo[d]isoxazole-4,7-dione(253609-88-0)

Safety Data

• Hazardous Substances Data: 253609-88-0(Hazardous Substances Data)

Upstream product

• 876-20-0 2,5-diethyl phenol 
• 29148-37-6 2,5-diethyl-1,4-benzoquinone 
• 2904-62-3 2,6-dichlorobenzonitrile N-oxide 

Relevant articles and documents

The reaction of nitrile oxide-quinone cycloadducts. III. Reinvestigation of the base-induced isomerization of the 1:1 -C=C-adducts of aromatic nitrile oxides with 2,5-and 2,6-dialkyl-substituted p-benzoquinones

The structure of the product obtained by the base, induced isomerization of the 1,3-dipolar cycloadduct of 2,5-di-t-butyl-p-benzoquinone with 2,6- dichlorobenzonitrile oxide was determined by X-ray analysis. The t-butyl group at the bridgehead position of the 1,3-dipolar cycloadduct migrated to the neighboring carbonyl carbon atom. This base-induced rearrangement took place with a bulky group, i.e., Et, i-Pr, t-Bu, and Bn at the bridgehead position of nitrile oxide-quinone cycloadducts in an alcoholic media. The driving force of this reaction is considered to be due to stabilization by aromatization from isoxazoline derivatives to isoxazole-fused p-quinol derivatives.