29745-87-7

Basic information

• Product Name: (E)-3,4,5,3',4',5'-Hexaphenyl-bicyclopentylidene-3,3'-diene-2,2'-dione
• CAS NO: 29745-87-7
• Molecular Weight: 616.759
• Mol File: 29745-87-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-3,4,5,3',4',5'-Hexaphenyl-bicyclopentylidene-3,3'-diene-2,2'-dione(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-3,4,5,3',4',5'-Hexaphenyl-bicyclopentylidene-3,3'-diene-2,2'-dione(29745-87-7)
• EPA Substance Registry System: (E)-3,4,5,3',4',5'-Hexaphenyl-bicyclopentylidene-3,3'-diene-2,2'-dione(29745-87-7)

Safety Data

• Hazardous Substances Data: 29745-87-7(Hazardous Substances Data)

Upstream product

• 4970-80-3 2,3,4-Triphenyl-2-cyclopenten-1-on 
• 86504-33-8 3,4,5-Triphenyl-4-cyclopenten-1,2-dion 
• 28742-18-9 4-hydroxy-2,3,4-triphenylcyclopent-2-ene-1-one 
• 130837-65-9 (Z)-2,2'-dioxo-3,3',4,4',5α,5'β-hexaphenyl-1,1'-bi(cyclopentenylidene) 

Downstream Products

• 86504-33-8 3,4,5-Triphenyl-4-cyclopenten-1,2-dion 
• 32561-50-5 3,4,5,3',4',5'-Hexaphenyl-bicyclopentyl-3,5,3',5'-tetraene-2,2'-dione 
• 32561-51-6 C₅₁H₃₆O₅ 
• 130837-65-9 (Z)-2,2'-dioxo-3,3',4,4',5α,5'β-hexaphenyl-1,1'-bi(cyclopentenylidene) 

Relevant articles and documents

Thermally Induced Solid-state Z-E Isomerisation in Bi(cyclopentenylidene) Compounds. X-Ray Crystal Structure of (Z)-2,2'-Dioxo-3,3',4,4',5α,5'β-hexaphenyl-1,1'-bi(cyclopentenylidene)

The crystal and molecular structure of the title compound has been determined; it crystallises as a methanol solvate in the space group P21/n with a=11.647(2), b=18.583(2), c=16.113(2) Angstroem, β=92.11(1)0 and Z=4.The structure has been solved by direct methods and refined to a final R value of 0.090.The molecular structure is different from that proposed earlier on the basis of spectral data.The central bond connecting the two five-membered rings displays pure double-bond character due to lack of conjugation.This is responsible for the thermal stability of the compound and the relatively high temperature for the isomerisation.One of the two five-membered rings assumes an envelope conformation and the other a half-chair.The solvent methanol molecule is disordered.