Tribenzylchlorotitanium

Base Information

• Chemical Name: Tribenzylchlorotitanium
• CAS No.: 18889-27-5
• Molecular Formula: C₂₁H₂₁ClTi
• Molecular Weight: 356.731
• DSSTox Substance ID: DTXSID601283574
• Mol file: 18889-27-5.mol

Synonyms:Tris-benzyl-titanium-(IV)-chloride;18889-27-5;tribenzylchlorotitanium;SCHEMBL5615038;DTXSID601283574;chlorotitanium(3+);methanidylbenzene;(T-4)-Chlorotris(phenylmethyl)titanium

Chemical Property of Tribenzylchlorotitanium

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 356.0811190
• Heavy Atom Count: 23
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: [CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.Cl[Ti+3]

Technology Process of Tribenzylchlorotitanium

There total 2 articles about Tribenzylchlorotitanium 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:

titanium tetrachloride (7550-45-0) + tetrabenzyl titanium (17520-19-3) → tribenzyltitaniun chloride (18889-27-5)

Guidance literature:

In ⁽²⁾H₈-toluene; byproducts: TiCl3, (CH2C6H5)2; mixed at -50°C under Ar; not isolated, followed by PMR; Kinetics;

Reference yield:

→ tribenzyltitaniun chloride (18889-27-5)

Guidance literature:

Benzylmagnesiumchlorid, TiCl4Py2;

DOI:10.1002/hlca.19670500513

Reference yield: 59.0%

{(π-cyclopentadienyl)3cerium(μ-σ-cyclopentadienyl)Na(THF)} + tribenzyltitaniun chloride (18889-27-5) → tris(η5-cyclopentadienyl)cerium(III) (1298-53-9) + tribenzyltitanium cyclopentadienyl

Guidance literature:

In tetrahydrofuran; byproducts: NaCl; addn. of tribenzyltitanium chloride to cerate soln. with stirring (Ar); react., 10h; filtration; evapn.; extn. (pentane); evapn.; storage at -20°C for several d; crystn.; filtration; drying (vac.); elem. anal.;

upstream raw materials:

titanium tetrachloride

tetrabenzyl titanium

Downstream raw materials:

(C₆H₅CH₂)3TiCo(CO)4

tris(η⁵-cyclopentadienyl)cerium(III)

C₃₇H₅₃ClN₃PSi₃Ti