ТЕТРАХЛОРИД БИС (МЕРКАПТОЦИКЛОГЕКСАН) ТИТАНА

Identification

Bis(mercaptocyclohexane)titanium tetrachloride is a titanium(IV) coordination complex in which two cyclohexylthiolate (mercaptocyclohexane) ligands are added to four chlorine atoms. English name Bis(mercaptocyclohexane)titanium tetrachloride, CAS 149391-23-1, formula C12H24Cl4S2Ti. Synonyms: Tetrachlorobis(cyclohexylmercapto)titanium(IV); complex of titanium tetrachloride with bis(cyclohexylmercaptan); Tetrachlorobis(cyclohexylmercapto)titanium.

Basic Attributes

• CAS No: 149391-23-1
• Chemical formula: C12H24Cl4S2Ti
• Molecular weight: 422.13
• Exact weight: 419.955

Substance class and purpose

The compound belongs to the class of titanium(IV) thiolate complexes, which are obtained by reacting titanium tetrachloride with thiols (mercaptans) - the reaction of replacing part of the chloride ligands with thiolate groups RS-. Such mixed-ligand Ti(IV) complexes retain the high Lewis acidity characteristic of TiCl4, but with modified sterics and electronic properties of the coordination sphere due to bulky cyclohexyl substituents.

Applications

• precursor and reagent in organometallic synthesis for the introduction of cyclohexylthiolate groups into other titanium compounds
• component of research catalytic systems based on titanium - coordination polymerization of olefins, catalysis of oxidation and epoxidation reactions
• model compound for studying the coordination chemistry of transition metals with sulfur-containing ligands
• reagent for laboratory studies of chloride/thiolate exchange reactions on a titanium center

Properties of the class of titanium thiolate complexes

Residual Ti-Cl bonds in such mixed-ligand complexes retain high reactivity to hydrolysis and solvolysis, as in the original titanium tetrachloride, so handling the substance requires the same precautions as with TiCl4 - contact with air moisture should be avoided, the reaction with water proceeds with the release of hydrogen chloride.

Safety Information

Detailed data on hazard codes, transport markings and precautionary measures for this specific position is not provided in the source. The substance should be handled according to the general rules for working with titanium(IV) chloride complexes: respiratory protection, skin and eye protection, work in a fume hood.

Storage and transportation

Store in a hermetically sealed container in an atmosphere of dry inert gas, away from moisture, water and protic solvents - upon contact with water, Ti-Cl bonds hydrolyze to release hydrogen chloride. Work with the substance in a glove box or in a nitrogen/argon flow.

General information about synthesis

Similar thiolate derivatives of titanium tetrachloride are prepared by gradually adding a thiol to a solution of TiCl4 in an inert solvent at a low temperature - the reaction releases hydrogen chloride and requires control of the stoichiometry to avoid further substitution of the remaining chloride ligands. The cyclohexyl substituent in the thiolate group was chosen as a bulky alkyl fragment that stabilizes the complex kinetically due to steric shielding of the titanium center.