Chlorodi(pi-cyclopentadienyl)methyltitanium(IV)

Base Information

• Chemical Name: Chlorodi(pi-cyclopentadienyl)methyltitanium(IV)
• CAS No.: 1278-83-7
• Molecular Formula: C11H13 Cl Ti
• Molecular Weight: 228.557
• Mol file: 1278-83-7.mol

Synonyms:Chlorodi(pi-cyclopentadienyl)methyltitanium(IV);Titanium(IV), chlorodi(pi-cyclopentadienyl)methyl-;1278-83-7;Titanium, chlorobis(eta(sup 5)-2,4-cyclopentadien-1-yl)methyl-

Chemical Property of Chlorodi(pi-cyclopentadienyl)methyltitanium(IV)

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 228.0185188
• Heavy Atom Count: 13
• Complexity: 58.5

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH3-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.Cl[Ti+3]

Technology Process of Chlorodi(pi-cyclopentadienyl)methyltitanium(IV)

There total 19 articles about Chlorodi(pi-cyclopentadienyl)methyltitanium(IV) 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: 66.0%

[(C5H5)2Ti(C6H4OCH3)(CH3)] (86822-34-6) + mercury dichloride → bis(cyclopentadienyl)methyltitanium(IV) chloride (1278-83-7) + [(C5H5)2TiCl(C6H4OCH3)] (86822-33-5) + methylmercury(II) chloride (115-09-3) + p-anisylmercuric chloride (3009-79-8)

Guidance literature:

In [⁽²⁾H₆]acetone; to cold (-78 °C) soln. of Ti complex in acetone-d6 added soln. of HgCl2 in acetone-d6 under N2; warmed to room temp., monitored by NMR;

DOI:10.1021/om50004a026

Reference yield: 58.0%

[(C5H5)2Ti(C6H4Cl)(CH3)] (86822-36-8) → bis(cyclopentadienyl)methyltitanium(IV) chloride (1278-83-7) + [(C5H5)2TiCl(C6H4Cl)] (86822-30-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; byproducts: C6H5Cl, CH4; to cold (-78 °C) soln. of Ti complex in Et2O added dropwise withstirring soln. of anhyd. HCl in Et2O under N2; warmed to room temp., evapd., monitored by NMR;

DOI:10.1021/om50004a026

Reference yield: 57.0%

[(C5H5)2Ti(C6H4CH3)(CH3)] (86822-35-7) → bis(cyclopentadienyl)methyltitanium(IV) chloride (1278-83-7) + [(C5H5)2TiCl(C6H4CH3)] (86822-29-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; byproducts: C6H5CH3, CH4; to cold (-78 °C) soln. of Ti complex in Et2O added dropwise withstirring soln. of anhyd. HCl in Et2O under N2; warmed to room temp., evapd., monitored by NMR;

DOI:10.1021/om50004a026

upstream raw materials:

[(C₅H₅)2Ti(C₆H₅)(CH₃)]

methylmercury(II) chloride

[(C₅H₅)2Ti(C₆H₄OCH₃)(CH₃)]

[(C₅H₅)2Ti(C₆H₄Cl)(CH₃)]

Downstream raw materials:

bis(cyclopentadienyl)titanium dichloride

[(C₅H₅)2Ti(C₆H₄Cl)(CH₃)]

Ti(C₅H₅)2(CH₃)(OCH₂C₆H₄OCH₃)

[(C₅H₅)2Ti(C₆H₄OCH₃)(CH₃)]

Refernces

• 1、 Clift, Susan M.,Schwartz, Jeffrey. "Activation of alkylidene-bridged heterobimetallic complexes toward electrophilic attack". . p. C5-C8. Retrieved 2007/10/02.
• 2、 Jeffery, John,Lappert, Michael F.,Luong-Thi, N. Tuyet,Webb, Maurice,Atwood, Jerry L.,Hunter, William E.. "Metallocene Derivatives of Early Transition Metals. Part 4. Chemistry of the Complexes and the X-Ray Structures of (M' = C or Si)". . p. 1593 - 1605. Retrieved 2007/10/02.