Cyclopenta-1,3-diene;titanium

Base Information

• Chemical Name: Cyclopenta-1,3-diene;titanium
• CAS No.: 1271-29-0
• Molecular Formula: C₁₀H₁₀Ti
• Molecular Weight: 178.069
• Hs Code.: 2902199090
• Metabolomics Workbench ID: 57577
• Wikidata: Q27122259
• Mol file: 1271-29-0.mol

Synonyms:di-pi-cyclopentadienyl-titanium;dicyclopentadienyltitanium;titanocene

Chemical Property of Cyclopenta-1,3-diene;titanium

Chemical Property:

• Vapor Pressure: 418mmHg at 25°C
• Boiling Point: 41.5°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 2.04300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 180.0418411
• Heavy Atom Count: 11
• Complexity: 58.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC=C1.C1C=CC=C1.[Ti]
• General Description: Titanocene, also known as bis(η5-cyclopentadienyl)titanium or dicyclopentadienyltitanium, is a versatile organometallic compound that serves as a precursor for catalytic and synthetic applications. It is particularly effective in homogeneous catalytic processes, such as the dehydrocoupling/dehydrogenation of amine-borane adducts, where it facilitates the formation of cyclic dimers through intermediate steps involving Ti(II) active species. Additionally, titanocene intermediates can undergo oxidative-addition reactions to form various Cp2Ti-containing organometallics, demonstrating its utility in synthesizing structurally diverse compounds. Its reactivity is influenced by steric and electronic modifications of the cyclopentadienyl ligands, impacting catalytic efficiency. Titanocene derivatives, including paramagnetic Ti(III) complexes, also show promise as precatalysts in dehydrocoupling reactions.

Technology Process of Cyclopenta-1,3-diene;titanium

There total 4 articles about Cyclopenta-1,3-diene;titanium 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:

bis(cyclopentadienyl)titanium dichloride (1271-19-8) → bis(η5-cyclopentadienyl)titanium(II) (1271-29-0)

Guidance literature:

With n-C₄H₉Li; In toluene; hexane; (Ar); n-C4H9Li in hexanes added at -15°C to a soln. of Ti complexin toluene, reacted for 5 min; not isolated;

DOI:10.1021/ja909535a

Reference yield:

Ti(C5H5)2(CO)(CH3O2CCHCHCO2CH3) → bis(η5-cyclopentadienyl)titanium(II) (1271-29-0) + dicarbonylbis(η-cyclopentadienyl)titanium(II)

Guidance literature:

byproducts: dimethyl fumarate; thermal decompn.;

DOI:10.1021/ja00341a021

Reference yield:

silver(I) hexafluorophosphate (26042-63-7) + ((C5H4Si(CH3)3)2Ti(CC(C5H4)Fe(C5H5))2)2Ag(1+)*PF6(1-)=[(C5H4Si(CH3)3)4Ti2(CC(C5H4)Fe(C5H5))4Ag]PF6 → bis(η5-cyclopentadienyl)titanium(II) (1271-29-0) + 1,8-bis(ferrocenyl)-1,3,5,7-octatetrayne

Guidance literature:

In not given; Ar-atmosphere, protected from light; 1.5 equiv. of AgPF6;

DOI:10.1016/S0022-328X(98)00785-2

upstream raw materials:

bis(cyclopentadienyl)titanium dichloride

silver(I) hexafluorophosphate

Refernces

Efficient kinetic resolution in the asymmetric hydrosilylation of imines of 3-substituted indanones and 4-substituted tetralones

10.1021/jo991328h

The research focuses on the efficient kinetic resolution in the asymmetric hydrosilylation of imines of 3-substituted indanones and 4-substituted tetralones, utilizing a chiral titanocene catalyst. The purpose of this study was to achieve high enantiomeric excess (ee) and diastereomeric purity in the synthesis of ketones and amines, which are crucial for the production of bioactive and pharmaceutically interesting molecules, such as the antidepressant sertraline. The researchers successfully demonstrated that N-methyl imines of 4-substituted tetralones could be resolved to yield ketones with high ee's and amine products with high diastereomeric and enantiomeric purity. Key chemicals used in the process include phenylsilane as the stoichiometric reductant, (EBTHI)titanocene catalyst, and various imine substrates derived from 3-substituted indanones and 4-substituted tetralones. The study concluded that the methodology could be applied to the enantiomeric synthesis of sertraline, an important antidepressant, with high diastereoselectivity and enantioselectivity.

ansa-METALLOCENE DERIVATIVES. IV. SYNTHESIS AND MOLECULAR STRUCTURES OF CHIRAL ansa-TITANOCENE DERIVATIVES WITH BRIDGED TETRAHYDROINDENYL LIGANDS

10.1016/S0022-328X(00)89067-1

The research focuses on the synthesis and molecular structures of chiral ansa-titanocene derivatives with bridged tetrahydroindenyl ligands. The purpose of this study was to develop easily accessible synthetic routes for these stereorigid, chiral organometallic compounds, which have potential applications as chiral hydride- or alkyl-transfer agents. The researchers synthesized racemic ethylene-bis(4,5,6,7-tetrahydro-1-indenyl)titanium dichloride and determined its molecular structure, along with that of its meso-isomer and a binaphtholate complex of the (S,S)-enantiomer. They found that the meso-isomer could be converted to the racemic form through exposure to light, a process likely involving a reversible homolytic metal-ring separation. The chiral ansa-titanocene framework was found to be resistant to racemization during ligand exchange. Key chemicals used in the process included 1,2-bis(3-indenyl)ethane, titanium tetrachloride, (S)-(-)-binaphthol, and various solvents and reagents for purification and chromatographic separation.

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