Bis(methylcyclopentadienyl)titanium dichloride

Base Information

• Chemical Name: Bis(methylcyclopentadienyl)titanium dichloride
• CAS No.: 1282-40-2
• Molecular Formula: C12H14 Cl2 Ti
• Molecular Weight: 277.029
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID20926091
• Mol file: 1282-40-2.mol

Synonyms:1282-40-2;Dichlorobis(methyl-pi-cyclopentadienyl)titanium;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride;Titanium, dichlorobis(methyl-pi-cyclopentadienyl)-;Bis(eta(sup 5)-methylcyclopentadienyl)dichlorotitan(IV) [German];DTXSID20926091;LS-153901;BIS(METHYLCYCLOPENTADIENYL)TITANIUMDICHLORIDE;Bis(eta(sup 5)-methylcyclopentadienyl)dichlorotitan(IV);Titanium(4+) chloride 2-methylcyclopenta-2,4-dien-1-ide (1/2/2)

Chemical Property of Bis(methylcyclopentadienyl)titanium dichloride

Chemical Property:

• Vapor Pressure: 94.8mmHg at 25°C
• Melting Point: 220-225 °C
• Boiling Point: 80.4°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 4.20220
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 275.995197
• Heavy Atom Count: 15
• Complexity: 33.3

Purity/Quality:

99% ^*data from raw suppliers

BIS(METHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bis(methylcyclopentadienyl)titanium dichloride

There total 18 articles about Bis(methylcyclopentadienyl)titanium dichloride 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: 99.0%

bis(η-methylcyclopentadienyl)difluorotitanium → dichlorobis(η5-methylcyclopentadienyl)titanium(IV) (1282-40-2)

Guidance literature:

With HCl; In hydrogenchloride; refluxing (N2-atmosphere, 15 min, pptn.); filtration, drying (< 100°C), dissoln. in CH2Cl2, pptn. on petroleum ether addn., drying (vac.); elem. anal.;

DOI:10.1016/S0020-1693(00)95529-4

Reference yield: 95.0%

methylcyclopentadienylthallium(I) + titanium tetrachloride (7550-45-0) → dichlorobis(η5-methylcyclopentadienyl)titanium(IV) (1282-40-2)

Guidance literature:

In tetrahydrofuran; byproducts: TlCl; stirring (30 min, pptn.); filtration, evapn. (vac.), recrystn. (CHCl3); elem. anal.;

DOI:10.1016/S0020-1693(00)95529-4

Reference yield: 94.0%

titanium tetrachloride (7550-45-0) + sodium methylcyclopentadienide → dichlorobis(η5-methylcyclopentadienyl)titanium(IV) (1282-40-2)

Guidance literature:

With tetrahydrofuran; HCl; In tetrahydrofuran; toluene; under N2; addn. of anhydrous THF to a chilled toluene soln. of TiCl4 (-70°C), pptn. of TiCl4*2THF, temp. raised (-10°C), dropwise addn. of Na(C5H4Me) over 1 h, black suspn., stirred (1 d), treated with gaseous HCl, red suspn.; evapn. (to dryness), extn. (in air, CH2Cl2, Soxhlet), filtration, washed (Et2O, three times), evapn.; elem. anal.;

DOI:10.1039/DT9920001081

upstream raw materials:

titanium tetrachloride

methylcyclopentadiene

1,4-{(MeCp)2Ti}2Se₄

methyldichloroarsane

Downstream raw materials:

(η-5-methylcyclopentadienyl)titanium trichloride