91999-52-9

Basic information

• Product Name: (5Z,7Z,9Z)-(1S,4R,4aR,10aS)-1,2,3,4,11,11-Hexachloro-7-methyl-6,8,9-triphenyl-1,4,4a,10a-tetrahydro-1,4-methano-benzocyclooctene
• CAS NO: 91999-52-9
• Molecular Weight: 619.245
• Mol File: 91999-52-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (5Z,7Z,9Z)-(1S,4R,4aR,10aS)-1,2,3,4,11,11-Hexachloro-7-methyl-6,8,9-triphenyl-1,4,4a,10a-tetrahydro-1,4-methano-benzocyclooctene(CAS DataBase Reference)
• NIST Chemistry Reference: (5Z,7Z,9Z)-(1S,4R,4aR,10aS)-1,2,3,4,11,11-Hexachloro-7-methyl-6,8,9-triphenyl-1,4,4a,10a-tetrahydro-1,4-methano-benzocyclooctene(91999-52-9)
• EPA Substance Registry System: (5Z,7Z,9Z)-(1S,4R,4aR,10aS)-1,2,3,4,11,11-Hexachloro-7-methyl-6,8,9-triphenyl-1,4,4a,10a-tetrahydro-1,4-methano-benzocyclooctene(91999-52-9)

Safety Data

• Hazardous Substances Data: 91999-52-9(Hazardous Substances Data)

Upstream product

• 91999-55-2 C₃₃H₂₂Cl₆O 
• 107319-64-2 3-methyl-2,4,5-triphenylcyclopenta-2,4-dien-1-one 
• 70216-50-1 1,6,7,8,9,9-hexachloro-endo-tricyclo<4.2.1.0^2.5>nona-3,7-diene 

Downstream Products

• 108312-59-0 C₃₂H₂₂Cl₆ 
• 91999-58-5 C₃₂H₂₂Cl₆ 
• 91999-60-9 C₃₂H₂₂Cl₆ 

Relevant articles and documents

Synthesis and Rearrangement of Alkylaryl- and Aryl-substituted Dihydrosemibullvalenes by Thermolysis of 7,8-Fused Cyclo-octa-1,3,5-triene Derivatives

The thermal cycloaddition of a cyclobuteno-dienophile (1) with cyclopentadienones has been systematically investigated; the stereoisomeric adducts give convenient access by decarbonylation to a variety of tetra-aryl, methyltriphenyl-, triphenyl-, tri-t-butyl-, and dimethyldiphenyl-cyclo-octa-1,3,5-triene derivatives as the products of electrocyclic ring-opening of the valence-tautomeric primary products of cheletropic bridge-extrusion, viz. bicyclooctadienes.These compounds provide useful models for investigation of equilibria between the electrocyclic valence tautomers, the scope and mechanism for thermal cross-cyclisations in, for example, unsymmetrically substituted cyclooctatrienes, and the thermal vinyl-cyclopropane (1,3-allylic shift) isomerisation and/or H-atom transfer disproportionation of the resulting arylated and alkylaryldihydrosemibullvalenes.The results best accord with diradical pathways for cyclo-octatriene-dihydrosemibullvalene conversions and subsequent rearrangements.Usefull 13C and 1H n.m.r. structure correlations and new examples of cyclopentadienones are also reported.