64417-14-7

Basic information

• Product Name: 3-phenyl-1,2,4,5-tetramethyl-1,3-cyclopentadiene
• Synonyms: 3-phenyl-1,2,4,5-tetramethyl-1,3-cyclopentadiene
• CAS NO: 64417-14-7
• Molecular Weight: 198.308
• Mol File: 64417-14-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 3-phenyl-1,2,4,5-tetramethyl-1,3-cyclopentadiene(CAS DataBase Reference)
• NIST Chemistry Reference: 3-phenyl-1,2,4,5-tetramethyl-1,3-cyclopentadiene(64417-14-7)
• EPA Substance Registry System: 3-phenyl-1,2,4,5-tetramethyl-1,3-cyclopentadiene(64417-14-7)

Safety Data

• Hazardous Substances Data: 64417-14-7(Hazardous Substances Data)

Upstream product

• 54458-61-6 2,3,4,5-tetramethyl-2-cyclopenten-1-one 
• 591-51-5 phenyllithium 
• 108-86-1 bromobenzene 

Downstream Products

• 1292280-39-7 dichloro(tetramethylcyclopentadienylbenzene)iridium(III)dimer 
• 926294-24-8 dichloro(tetramethylcyclopentadienylbenzene)rhodium(III)dimer 
• 914492-77-6 [(η5-C5Me4Ph)Fe(CO)(μ-CO)]2 
• 914492-81-2 [(η5-C5Me4Ph)Mo(CO)2]2 
• 477761-34-5 [(η(5)-phenyltetramethylcyclopentadienyl)(CO)Ru(μ-CO)]2(Ru-Ru) 
• 185686-28-6 Fe(C₅H₅)(C₅(CH₃)4(C₆H₅)) 

Relevant articles and documents

Dimeric structures of Cp′TiCl2 compounds with bulky substituents at the cyclopentadienyl rings

The complexes [(η,5-C5Me4Ph)TiCl(μ-Cl)]2 (1) and [(η5-C5Bn5)TiCl(μ-Cl)]2 (2) (Bn = benzyl) were obtained by the reaction of TiCl3 and the corresponding alka

Preparation and characterization of (C5Me4Ph)TiCl3, the oxochloride complexes [(C5Me4Ph)TiCl2]2( μ-O) and [(C5Me4Ph)TiCl( μ-O)]3 and the oxo-complex [(C5Me4Ph)Ti]4( μ-O)6

The titanium compound (C5Me4Ph)TiCl3 (1) can be prepared by the reaction of (C5Me4Ph)SiMe3 with TiCl4. Hydrolysis of 1 in the presence of HNEt2 or Ag2O has allowed for the isolation of the oxochloride complexes [(C5Me4Ph)TiCl2]2( μ-O) (2) and [(C5Me4Ph)TiCl( μ-O)]3 (3), respectively. The NMR spectra of 3 are consistent with a nearly flat Ti3O3 ring having down-up-up or E-Z-Z arrangement of (C5Me4Ph)-ligands around the ring. The X-ray crystal structure of 2 (monoclinic, space group C2/c, a = 19.847(12), b = 9.089(5), c = 20.405(13) A, β = 124.06(5)°) consists of trans [(C5Me4Ph)TiCl2]2( μ-O) molecules of C2 symmetry with nearly linear Ti-O-Ti units (169.3(2)°). Reaction of 1 with an excess of H2O/HNEt2 results in the formation of the oxo-complex [(C5Me4Ph)Ti]4( μ-O)6 (4). The X-ray crystal structure of 4 (triclinic, space group P1, a = 11.861(5), b = 12.706(5), c = 18.218(8) A, α = 87.58(3)°, β = 89.00(3)°, γ = 86.60(3)°) reveals that the molecules of 4 have an adamantane-like Ti4O6 cage of nearly Td symmetry. The NMR spectra and molecular structures of 1, 2, 3 and 4 are discussed.