77541-40-3

Basic information

• Product Name: 5-hydroxymethyl-2-phenyl-3-benzoyl-3a,6a-dihydrofuro<3,2-c>isoxazolin
• CAS NO: 77541-40-3
• Molecular Weight: 323.348
• Mol File: 77541-40-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 5-hydroxymethyl-2-phenyl-3-benzoyl-3a,6a-dihydrofuro<3,2-c>isoxazolin(CAS DataBase Reference)
• NIST Chemistry Reference: 5-hydroxymethyl-2-phenyl-3-benzoyl-3a,6a-dihydrofuro<3,2-c>isoxazolin(77541-40-3)
• EPA Substance Registry System: 5-hydroxymethyl-2-phenyl-3-benzoyl-3a,6a-dihydrofuro<3,2-c>isoxazolin(77541-40-3)

Safety Data

• Hazardous Substances Data: 77541-40-3(Hazardous Substances Data)

Upstream product

• 98-00-0 (2-furyl)methyl alcohol 
• 5492-70-6 phenyl-glyoxal-2-(N-phenyl oxime ) 

Relevant articles and documents

CORRELATION OF KINETIC DATA OF 1,3-DIPOLAR CYCLOADDITIONS OF C-BENZOYL-N-PHENYLNITRONES WITH THE HOMO ENERGIES OF FURAN DERIVATIVES

Application of PMO treatment to 1,3-dipolar cycloaddition of C-benzoyl-N-phenylnitrone with furan derivatives is described.Ionisation potentials of 2-R-substituted furan derivatives (R=H, CH3, C2H5, CH2OH, CH2OCOCH3, C6H5, CHO) and 2,5-dimethylfurane representing experimental values of the HOMO energies have been determined from energies of the respective charge-transfer complexes with TCNE.Good correlation between IP and k2 rate constants indicates that the reaction is controlled by the LUMO(nitrone)/HOMO(furan deriv.) interaction.Electron affinities of the furanderivatives were determined from IP and energies of ?-?*transitions using empirical equation ΔE(?-?*)=IP-EA-450.58 kJ mol-1.