1278-83-7

Basic information

• Product Name: Titanium, chlorobis(h5-2,4-cyclopentadien-1-yl)methyl-
• Synonyms: Dicyclopentadienylmethyltitanium(IV)chloride (6CI); Titanium, chlorodi-p-cyclopentadienylmethyl- (8CI); Titanium, chlorodicyclopentadienylmethyl-(7CI); Chloro(methyl)titanocene; Chlorobis(cyclopentadienyl)methyltitanium;Chlorobis(h5-cyclopentadienyl)(methyl)titanium;Chlorodi-p-cyclopentadienylmethyltitanium;Chloromethyldicyclopentadienyltitanium; Methyltitanocene chloride
• CAS NO: 1278-83-7
• Molecular Formula: C11H13 Cl Ti
• Molecular Weight: 228.557
• Mol File: 1278-83-7.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Titanium, chlorobis(h5-2,4-cyclopentadien-1-yl)methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Titanium, chlorobis(h5-2,4-cyclopentadien-1-yl)methyl-(1278-83-7)
• EPA Substance Registry System: Titanium, chlorobis(h5-2,4-cyclopentadien-1-yl)methyl-(1278-83-7)

Safety Data

• Hazardous Substances Data: 1278-83-7(Hazardous Substances Data)

Upstream product

• 75535-77-2 [(C₅H₅)2Ti(C₆H₅)(CH₃)] 
• 115-09-3 methylmercury(II) chloride 
• 86822-34-6 [(C₅H₅)2Ti(C₆H₄OCH₃)(CH₃)] 
• 86822-36-8 [(C₅H₅)2Ti(C₆H₄Cl)(CH₃)] 
• 86822-35-7 [(C₅H₅)2Ti(C₆H₄CH₃)(CH₃)] 
• 1271-66-5 dimethyltitanocene 
• 1271-19-8 bis(cyclopentadienyl)titanium dichloride 
• 917-54-4 methyllithium 
• 16633-72-0 cis-dichlorobis(methyldiphenylphosphine)platinum(II) 
• 79160-91-1 bis(η-cyclopentadienyl)methyl(trimethylstannylmethyl)titanium(IV) 
• 55859-02-4 chlorobis(η-cyclopentadienyl)(trimethylstannylmethyl)titanium(IV) 

Downstream Products

• 1271-66-5 dimethyltitanocene 
• 110613-17-7 {methylbis(cyclopentadienyl)titanium(NC-n-Pr)}(BPh₄) 
• 109631-01-8 {methylbis(cyclopentadienyl)titanium(NC-t-Bu)}(BPh₄) 
• 109630-95-7 {methylbis(cyclopentadienyl)titanium(acetonitrile)}(BPh₄) 
• 1271-19-8 bis(cyclopentadienyl)titanium dichloride 
• 86822-36-8 [(C₅H₅)2Ti(C₆H₄Cl)(CH₃)] 
• 172219-35-1 Ti(C₅H₅)2(CH₃)(OCH₂C₆H₄OCH₃) 
• 86822-34-6 [(C₅H₅)2Ti(C₆H₄OCH₃)(CH₃)] 
• 86822-35-7 [(C₅H₅)2Ti(C₆H₄CH₃)(CH₃)] 
• 86407-61-6 o-aminothiophenolato-methyl-bis(η5-cyclopentadienyl)titanium(IV) 
• 86407-62-7 p-aminothiophenolato-methyl-bis(η5-cyclopentadienyl)titanium(IV) 
• 86822-37-9 [(C₅H₅)2Ti(C₆H₄Cl)(CH₃)] 
• 75535-77-2 [(C₅H₅)2Ti(C₆H₅)(CH₃)] 
• 86822-38-0 [(C₅H₅)2Ti(C₆H₄F)(CH₃)] 

Relevant articles and documents

1H and 13C NMR spectroscopic study of titanium(IV) species formed by activation of Cp2TiCl2 and [(Me4C5)SiMe2NtBu]TiCl2 with methylaluminoxane (MAO)

Using 13C and 1H NMR spectroscopy, the products of the reaction of Cp2TiCl2 with methylaluminoxane (MAO) at Al:Ti ratios of 5:1 to 300:1 have been identified as Cp2TiMeCl, Cp2TiMe2, [Cp2TiMe(μ-Cl)Cp2-TiCl]+[Me-MAO]- (II1), [Cp2TiMe(μ-Cl)Cp2TiMe]+[Me-MAO]- (II2), [Cp2TiMe(μ-Me)Cp2TiMe]+[Me-MAO]- (II3), the heterobinuclear ion pair [Cp2Ti(μ-Me)2AlMe2]+[Me-MAO] - (III), and a zwitterion-like intermediate, formulated as Cp2TiMe+←Me-Al-≡MAO (IV). In contrast, [(Me4C5)SiMe2NtBu]TiCl2/M AO gives only zwitterion-like, not heterobinuclear, species.

Selectivity and reactivity in reactions of methylaryltitanium(IV) complexes with electrophiles

Methyl or phenyl for halogen-exchange reactions occur between [TiMe2(η-C5H5)2] or [TiPh2(η-C5H5)2] with [TiX2(η-C5H5)2], X = halogen, to give [TiXMe(η-C5H5)2] or [TiXPh(η-C5H5)2], respectively. The reactions are complicated by parallel decomposition of the methyl- or phenyltitanium complexes, which is catalyzed by [TiX2(η-C5H5)2] or [TiXR(η-C5H5)2]. In general, there is little difference in the rates of reaction of [TiMe2(η-C5H5)2] and [TiPh2(η-C5H5)2] toward the symmetrization reactions. These reagents also transfer a methyl group or phenyl group to platinum(II) or gold(III), but there are again side reactions. The complex [TiMePh(η-C5H5)2] reacts with electrophiles HCl, HOAc, HgCl2, and MeHgCl to give cleavage of both methyl- and phenyltitanium bonds with little selectivity. In cleavage of [TiMe(C6H4X)(η-C5H5) 2] there is a correlation of the selectivity for cleavage of the aryl group by electrophiles HCl or HgCl2 with the σ+ parameters of substituents X. A mechanism of reaction involving electron transfer from the complex to the electrophile followed by rapid cleavage is tentatively suggested.