126458-77-3

Basic information

• Product Name: (4R,5R,5'S)-3'-Bromo-4,5,5'-triphenyl-4,5,4',5'-tetrahydro-[3,5']biisoxazolyl
• CAS NO: 126458-77-3
• Molecular Weight: 447.331
• Mol File: 126458-77-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (4R,5R,5'S)-3'-Bromo-4,5,5'-triphenyl-4,5,4',5'-tetrahydro-[3,5']biisoxazolyl(CAS DataBase Reference)
• NIST Chemistry Reference: (4R,5R,5'S)-3'-Bromo-4,5,5'-triphenyl-4,5,4',5'-tetrahydro-[3,5']biisoxazolyl(126458-77-3)
• EPA Substance Registry System: (4R,5R,5'S)-3'-Bromo-4,5,5'-triphenyl-4,5,4',5'-tetrahydro-[3,5']biisoxazolyl(126458-77-3)

Safety Data

• Hazardous Substances Data: 126458-77-3(Hazardous Substances Data)

Upstream product

• 96791-63-8 (S)-1-((4S,5S)-4,5-Diphenyl-4,5-dihydro-isoxazol-3-yl)-1-phenyl-ethanol 
• 74213-24-4 N-dibromomethylidenehydroxylamine 
• 96791-68-3 3-(1-Phenylethenyl)-4,5-diphenyl-4,5-dihydroisoxazole 

Relevant articles and documents

Diastereofacial Selectivity Studies on 3-Alkenyl-4,5-diphenyl-4,5-dihydroisoxazoles

Epoxidation of 3-(1-phenylethenyl)-4,5-diphenyl-4,5-dihydroisoxazole and 3-ethenyl-4,5-diphenyl-4,5-dihydroisoxazole occurred with 74percent diastereomer excess (de) and 66percent de, respectively.Catalytic cis-hydroxylation of the 3-(1-phenylethenyl)dihydroisoxazole afforded a diol with 80percent de.Cycloaddition reactions of the same alkenyl dihydroisoxazoles with bromonitrile oxide and phenylsulfonylcarbonitrile oxide occurred with 10-46percent de; opposite diastereomers were preferred in the reactions of 3-ethenyl- and 3-(1-phenylethenyl)dihydroisoxazoles.These results are rationalized based on a combination of two factors: a preference for the s-trans heterodiene conformer and a preference for attack anti to the C-4 phenyl group in all but one case.The s-trans conformer of 3-ethenyl-4,5-dihydroisoxazole was determined by the ab initio method to be 2.8 kcal/mol more stable than the s-cis conformer.