(Pentamethylcyclopentadienyl)trichlorotitanium

Base Information

• Chemical Name: (Pentamethylcyclopentadienyl)trichlorotitanium
• CAS No.: 12129-06-5
• Molecular Formula: C10H15Cl3Ti
• Molecular Weight: 289.468
• Hs Code.: 29319090
• UNII: RM8V7EFM46
• Mol file: 12129-06-5.mol

Synonyms:RM8V7EFM46;(Pentamethylcyclopentadienyl)trichlorotitanium;Trichloro(eta5-pentamethylcyclopentadienyl)titanium;Titanium, trichloro(pentamethyl-pi-cyclopentadienyl)-;Trichloro(pentamethylcyclopentadienyl)titanium(IV), 97%;(1,2,3,4,5-Pentamethylcyclopentadienyl)titanium trichloride;(Pentamethylcyclopentadienyl)titanium(IV) Trichloride, >/=97%;Titanium, trichloro[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-;Trichloro[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]titanium

Chemical Property of (Pentamethylcyclopentadienyl)trichlorotitanium

Chemical Property:

• Appearance/Colour: red to bordeaux crystals
• Melting Point: 200 °C (dec.)(lit.)
• Boiling Point: 190-220 °C(Press: 4-7 Torr)
• Flash Point: 44.4oC
• PSA: 0.00000
• LogP: 5.04050
• Sensitive.: Moisture Sensitive
• Water Solubility.: reacts
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 287.971874
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

(Pentamethylcyclopentadienyl)titanium(IV) Trichloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C([C](C(=C1C)C)C)C.Cl[Ti](Cl)Cl
• Description: Trichloro(pentamethylcyclopentadienyl)titanium(IV) is a versatile catalyst for transesterification reactions and styrene polymerization.
• Uses: Pentamethylcyclopentadienyl)titanium(IV) Trichloride is used as a catalyst in Transesterification reactions and styrene polymerization. It is also used as Piano-stool catalyst.

Technology Process of (Pentamethylcyclopentadienyl)trichlorotitanium

There total 16 articles about (Pentamethylcyclopentadienyl)trichlorotitanium 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%

pentamethylcyclopentadienyltrimethylsilane (136990-69-7) + titanium tetrachloride (7550-45-0) → chloro-trimethyl-silane (75-77-4) + Cp*TiCl3 (12129-06-5)

Guidance literature:

In toluene; Dropwise addn. of TiCl4 in toluene to soln. of C(CH3)5Si(CH3)3 in toluene (N2), stirring (2 h, color change from red-orange to red).; Evapn. of solvent and byproduct (vacuum), washing of crystals (pentane), dried (vacuum), elem. anal.;

DOI:10.1016/0022-328X(88)80551-5

Reference yield: 95.0%

titanium tetrachloride (7550-45-0) + trimethyl-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl-silan (87778-95-8) → Cp*TiCl3 (12129-06-5)

Guidance literature:

In toluene; under Ar atm. using Schlenk techniques; recrystd. from toluene/pentane;

DOI:10.1021/om0109197

Reference yield: 95.0%

chloro-trimethyl-silane (75-77-4) + ((η5-pentamethylcyclopentadienyl)titanium)4O5Cl2 → Cp*TiCl3 (12129-06-5)

Guidance literature:

In toluene; N2-atmosphere; excess Me3SiCl, stirring at room temp. for 3 h; removal of volatiles;

DOI:10.1021/ic980450g

upstream raw materials:

bis(μ-oxo)(η1:η5-1,2,3,4-tetramethyl-5-methylene-1,3-cyclopentadiene)bis[(η-pentamethylcyclopentadienyl)titanium]

chloro-trimethyl-silane

1,2,3,4,5-pentamethylcyclopentadiene

titanium tetrachloride

Downstream raw materials:

Cp^*Ti(OC₆H₄-4-^tBu)Me₂

(η5-pentamethylcyclopentadienyl)titanum(Cl){o-xylidene}

[TiCl₂(pentamethylcyclopentadienyl)(2,4,6-Me₃C₆H₂O)]

((CH₃)5C₅)Ti(Cl)2(OC₆H₂(CH₃)2C(CH₃)3)

Refernces

• 1、 Pellny, Paul-Michael,Burlakov, Vladimir V.,Baumann, Wolfgang,Spannenberg, Anke,Horá?ek, Michal,Stěpni?ka, Petr,Mach, Karel,Rosenthal, Uwe. "Facile functionalizations of permethyltitanocene dichloride to chiral persubstituted titanocene complexes". . p. 2816 - 2819. Retrieved 2000.
• 2、 García-Castro, María,García-Iriepa, Cristina,Del Horno, Estefanía,Martín, Avelino,Mena, Miguel,Pérez-Redondo, Adrián,Temprado, Manuel,Yélamos, Carlos. "The Puzzling Monopentamethylcyclopentadienyltitanium(III) Dichloride Reagent: Structure and Properties". . . Retrieved 2019.
• 3、 Llinas, Gerardo Hidalgo,Mena, Miguel,Palacios, Federico,Royo, Pascual,Serrano, Ricardo. "(C5Me5)SiMe3 as a mild and effective reagent for transfer of the C5Me5 ring: an improved route to monopentamethylcyclopentadienyl trihalides of the group 4 elements". . p. 37 - 40. Retrieved 1988.
• 4、 González-Moreiras, Mariano,Mena, Miguel,Pérez-Redondo, Adrián,Yélamos, Carlos. "Cleavage of Dinitrogen from Forming Gas by a Titanium Molecular System under Ambient Conditions". supporting information. p. 3558 - 3561. Retrieved 2017/03/20.