946599-70-8

Basic information

• Product Name: (η5:η1.-N-[2-(1-methylimidazol-2-yl)-1,1-diphenylethyl]cyclopentadienyl)trichlorotitanium
• CAS NO: 946599-70-8
• Molecular Weight: 479.672
• Mol File: 946599-70-8.mol

Chemical Properties

• CAS DataBase Reference: (η5:η1.-N-[2-(1-methylimidazol-2-yl)-1,1-diphenylethyl]cyclopentadienyl)trichlorotitanium(CAS DataBase Reference)
• NIST Chemistry Reference: (η5:η1.-N-[2-(1-methylimidazol-2-yl)-1,1-diphenylethyl]cyclopentadienyl)trichlorotitanium(946599-70-8)
• EPA Substance Registry System: (η5:η1.-N-[2-(1-methylimidazol-2-yl)-1,1-diphenylethyl]cyclopentadienyl)trichlorotitanium(946599-70-8)

Safety Data

• Hazardous Substances Data: 946599-70-8(Hazardous Substances Data)

Upstream product

• 946599-68-4 5-trimethylsilyl-2-[2-(1-methylimidazol-2-yl)-1,1-diphenylethyl]-1,3-cyclopentadiene 
• 7550-45-0 titanium tetrachloride 

Relevant articles and documents

1-Methylimidazol-2-yl-functionalized cyclopentadienyl titanium and zirconium complexes. Crystal structure of [η 5:η1- C5H4CPh2CH2-(1-MeC3H 2N2)]TiCl3

The new side-chain functionalized cyclopentadienyl ligand LiC 5H4CPh2CH2R (R is 1-methylimidazol-2-yl) as lithium salt 2, the trimethylsilyl derivative Me 3SiC5H4CPh2CH2R (3), and the ligand in the CH form (4) were prepared starting from 6,6-diphenylfulvene and 1,2-dimethylimidazole lithiated at the 2-Me group (1) and then characterized. The half-sandwich complexes (η5:η 1-C5H4CPh2CH2R)TiCl 3 (5) and (η5:η 1-C5H 4CPh2CH2R)ZrCl3 (6) were synthesized. The molecular structure of complex 5 was established by X-ray diffraction. Complexes 5 and 6 exhibit dynamic behavior in solution associated with degenerate interconversion of the pseudo-six-membered metallacycle. For titanium complex 5 in a solvating solvent, a dynamic process due to intramolecular dissociation-coordination of the imidazole fragment was observed.