Dichloro-pi-cyclopentadienyl(methyl-pi-cyclopentadienyl)titanium

Base Information

• Chemical Name: Dichloro-pi-cyclopentadienyl(methyl-pi-cyclopentadienyl)titanium
• CAS No.: 1282-43-5
• Molecular Formula: C11H12 Cl2 Ti
• Molecular Weight: 263.002
• DSSTox Substance ID: DTXSID80926092
• Mol file: 1282-43-5.mol

Synonyms:Dichloro-pi-cyclopentadienyl(methyl-pi-cyclopentadienyl)titanium;Titanium, dichloro-pi-cyclopentadienyl(methyl-pi-cyclopentadienyl)-;eta(sup 5)-Methylcyclopentadienyl-eta(sup 5)-cyclopentadienyl-dichlorotitan(IV) [German];1282-43-5;eta(sup 5)-Methylcyclopentadienyl-eta(sup 5)-cyclopentadienyl-dichlorotitan(IV);C11H12Cl2Ti;DTXSID80926092;LS-153906;Titanium(4+) chloride cyclopenta-2,4-dien-1-ide 2-methylcyclopenta-2,4-dien-1-ide (1/2/1/1)

Chemical Property of Dichloro-pi-cyclopentadienyl(methyl-pi-cyclopentadienyl)titanium

Chemical Property:

• Vapor Pressure: 94.8mmHg at 25°C
• Boiling Point: 80.4°C at 760 mmHg
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 261.979546
• Heavy Atom Count: 14
• Complexity: 44.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+4]

Technology Process of Dichloro-pi-cyclopentadienyl(methyl-pi-cyclopentadienyl)titanium

There total 3 articles about Dichloro-pi-cyclopentadienyl(methyl-pi-cyclopentadienyl)titanium which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

titanium tetrachloride (7550-45-0) + lithium methylcyclopentadienide → bis(cyclopentadienyl)titanium dichloride (1271-19-8) + dichlorobis(η5-methylcyclopentadienyl)titanium(IV) (1282-40-2) + (h(5)-methylcyclopentadienyl)(h(5)-cyclopentadienyl)titanium dichloride (1282-43-5)

Guidance literature:

In diethyl ether; C5H4(CH3)Li slurry added slowly to TiCl4 soln. under Ar at 0°C, stirred for 30 min; evapd. (vac.), washed with aq. HCl, with EtOH, with ether, recrystd. (toluene), recrystd. (CHCl3);

DOI:10.1021/om00080a010

Reference yield: 25.0%

Cp2TiAlH4 → bis(cyclopentadienyl)titanium dichloride (1271-19-8) + (h(5)-methylcyclopentadienyl)(h(5)-cyclopentadienyl)titanium dichloride (1282-43-5) + (C5H5)(C5H4CH2Cl)TiCl2

Guidance literature:

With tetrachloromethane; In diethyl ether; benzene; (C5H5)2TiAlH4 (in ether and C6H6) held in a sealed ampul (30-40°C, 1 wk); added at -78°C to a mixt. of dry CCl4 and ether; stirred (0.5 h, -78°C); warmed to room temp.; stirred (5 h);; evapd.; washed (ether); dissolved in CHCl3; evapd.; sepd. in column with silica gel satd. with dry HCl (eluent - CHCl3 satd. HCl); elem. anal.;;

Reference yield:

cyclopentadienyl titanium(IV) trichloride (1270-98-0) + lithium methylcyclopentadienide → bis(cyclopentadienyl)titanium dichloride (1271-19-8) + dichlorobis(η5-methylcyclopentadienyl)titanium(IV) (1282-40-2) + (h(5)-methylcyclopentadienyl)(h(5)-cyclopentadienyl)titanium dichloride (1282-43-5)

Guidance literature:

In diethyl ether; methylcyclopentadienyllithium suspn. added dropwise to stirred complex soln. at 0°C under Ar, allowed to warm to room temp., stirred for30 min; concd. (vac.), aq. HCl added, solids filtered, washed with aq. HCl, with cold ether, dried, fractionally crystd. (hot toluene);

DOI:10.1021/om00080a010

upstream raw materials:

titanium tetrachloride

cyclopentadienyl titanium(IV) trichloride

Downstream raw materials:

mono(η(5)-methylcyclopentadienyl)tris(N-methyl-N-phenyldithiocarbamato)titanium(IV)

(C₅H₅)(C₅H₄CH₃)TiCH₂Al(CH₃)2Cl

dimethylaluminum chloride

Refernces