110825-76-8

Basic information

• Product Name: (η5-pentamethylcyclopentadienyl)titanum(Cl){o-xylidene}
• CAS NO: 110825-76-8
• Molecular Weight: 322.714
• Mol File: 110825-76-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (η5-pentamethylcyclopentadienyl)titanum(Cl){o-xylidene}(CAS DataBase Reference)
• NIST Chemistry Reference: (η5-pentamethylcyclopentadienyl)titanum(Cl){o-xylidene}(110825-76-8)
• EPA Substance Registry System: (η5-pentamethylcyclopentadienyl)titanum(Cl){o-xylidene}(110825-76-8)

Safety Data

• Hazardous Substances Data: 110825-76-8(Hazardous Substances Data)

Upstream product

• 12129-06-5 Cp*TiCl₃ 
• 110825-75-7 {o-xylidene}Mg(THF)2 

Relevant articles and documents

A dinuclear bis(1,3-diene) complex of titanium: Crystal and molecular structure of μ-[o-(CH2)2C6H4](μ-Cl) 2[(η5-C5Me5)Ti]2, containing an unprecedented o-xylidene bridging group

(η5-C5Me5)TiCl3 reacts with [o-(CH2)2C6H4]Mg(THF)2 to give (η5-C5Me5)TiCl[o-(CH2) 2C6H4] (3) or μ-[o-(CH2)2C6H4](μ-Cl) 2[(η5-C5Me5)Ti]2 (4) depending on the solvent. The crystal structure of 4 has been determined by X-ray diffraction methods. Crystals of 4 are monoclinic of space group C2/c with Z = 8 in a unit cell of dimensions a = 26.746 (4) A?, b = 11.832 (3) A?, c = 16.781 (3) A?, and β = 90.44 (1)°. The structure has been solved from diffractometer data by Patterson and Fourier methods and refined by full-matrix least squares to R = 0.080 and Rw = 0.095 for 1089 observed reflections. The complex shows an o-xylidene ligand bridging two Ti(η5-C5Me5) fragments through its exo- and endocyclic conjugated diene systems which are bonded in different (σ2 and π2) modes to the titanium atoms.