1282-40-2

Basic information

• Product Name: BIS(METHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE
• Synonyms: bis(eta(sup5)-methylcyclopentadienyl)dichlorotitan(iv);dichlorobis(methyl-pi-cyclopentadienyl)-titaniu;BIS(METHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE;BIS(METHYLCYCLOPENTADIENYL)TITANIUM(IV) DICHLORIDE;BIS-(METHYLCYCLOPENTADIENYL)-DICHLOROTITANIUM(IV);Bis(methylcyclopentadienyl)titanium Dichloride, Recrystalized;5-methylcyclopenta-1,3-diene
• CAS NO: 1282-40-2
• Molecular Formula: C₁₂H₁₄Cl₂Ti
• Molecular Weight: 277.01
• Mol File: 1282-40-2.mol

Chemical Properties

• Melting Point: 220-225 °C
• Boiling Point: 80.4°Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 94.8mmHg at 25°C
• CAS DataBase Reference: BIS(METHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: BIS(METHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE(1282-40-2)
• EPA Substance Registry System: BIS(METHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE(1282-40-2)

Safety Data

• Hazardous Substances Data: 1282-40-2(Hazardous Substances Data)

Usage

Uses

Used in Polymer Production:
Bis(methylcyclopentadienyl)titanium dichloride is used as a catalyst in the polymerization of olefins, particularly for the production of polyethylene and polypropylene. Its high catalytic activity and selectivity contribute to the efficiency and quality of these polymers.
Used in Organic Synthesis:
BIS(METHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE is used as a versatile tool in organic synthesis due to its ability to undergo insertion reactions with unsaturated hydrocarbons. This property allows for the creation of a wide range of organic compounds.
Used in Specialty Chemicals Production:
Bis(methylcyclopentadienyl)titanium dichloride is utilized in the production of specialty chemicals, where its reactivity and catalytic properties are harnessed to create complex molecules with specific properties.
Used in Pharmaceutical Industry:
BIS(METHYLCYCLOPENTADIENYL)TITANIUM DICHLORIDE is also used in the pharmaceutical industry, where its unique chemical properties can be employed in the synthesis of various drugs and medicinal compounds, contributing to the development of new treatments and therapies.

InChI:InChI=1/2C6H7.2ClH.Ti/c2*1-6-4-2-3-5-6;;;/h2*2-5H,1H3;2*1H;/q2*-1;;;+4/p-2

Upstream product

• 7550-45-0 titanium tetrachloride 
• 96-38-8 methylcyclopentadiene 
• 1270-98-0 cyclopentadienyl titanium(IV) trichloride 
• 31011-57-1 tetrachlorobis(tetrahydrofuran)titanium(IV) 
• 10199-34-5 cis-dichlorobis(triphenylphosphine)platinum(II) 
• 59139-01-4 (η5-methylcyclopentadienyl)dichloridovanadium(IV) 
• 14647-23-5 1,2-bis(diphenylphosphino)ethane nickel(II) chloride 
• 90432-13-6 (CH₃C₅H₄)2TiS₄P₂(C₆H₄OCH₃)2 
• 106191-39-3 1,4-{(MeCp)2Ti}2Se₄ 
• 593-89-5 methyldichloroarsane 
• 594-42-3 chlorothio-trichloro-methane 
• 10025-67-9 disulfur dichloride 
• 75-44-5 phosgene 

Downstream Products

• 1282-31-1 (η-5-methylcyclopentadienyl)titanium trichloride 
• 1210054-48-0 [Ti(η5-C5H4Me)2(2-(mesitylthio)acetate)2] 
• 90432-13-6 (CH₃C₅H₄)2TiS₄P₂(C₆H₄OCH₃)2 
• 90412-99-0 (CH₃C₅H₄)2TiS₄P₂(C₆H₄OC₂H₅)2 

Relevant articles and documents

Synthesis of Ring-Substituted Titanocene Sulfidotetraselenide Chelates

Reaction of the titanocene complexes (RC5H4)2Ti(SH)2 with elemental selenium in refluxing carbon disulfide leads to H2S evolution and to selective formation of the titanocene sulfidotetraselenides (RC5H4)2TiSSe4.In these compounds the SS

Water soluble, hydrolytically stable derivatives of the antitumor drug titanocene dichloride and binding studies with nucleotides

The rate of hydrolysis of the aromatic rings of Cp2TiX2 and the dimethylsubstituted derivatives (MeCp)2TiX2 [X=Cl, O2CCH2NH3Cl], in aqueous solutions at pH 2-8 have been studied

Monocyclopentadienylchlorooxotitanium(IV) Dimers, Trimers and Tetramers

High-yield syntheses (90percent) of the monocyclopentadienyloxochloro complexes 2, 3, 4 and 5 have been achieved by hydrolysis of the precursors 1 5-C5H5, C5H4Me, C5H4(SiMe3) or C5Me5>.In addition 5-C5H4(SiMe3)>Br3> 7, 5-C5H4(SiMe3)>4Br4(μ-O)4> 8 and 5-C5H4(SiMe3)>4(NCS)4(μ-O)4> 9 have been prepared.The structures of the cyclic trimer 5 (L = η5-C5Me5) and tetramer 9 have been determined by X-ray analysis: 5, monoclinic, space group P21/c, a = 16.724(2), b = 8.958(1), c = 22.871(2) Angstroem, β = 91.73(1) deg, Z = 4 and R = 0.065 for 3159 independent observed reflections; 9. monoclinic, space group Cc, a = 24.527(2), b= 12.520(2), c= 18.931(2) Angstroem, β=115.46(2) deg, Z = 4 and R = 0.060 for 3088 independent observed reflections.The electronic configurations of complexes 2-5 have been calculated by extended Hueckel molecular orbital calculations.

Titanium(IV) carboxylate complexes: Synthesis, structural characterization and cytotoxic activity

Four titanium(IV) carboxylate complexes [Ti(η5-C5H5)2 (O2CCH2SMes)2] (1), [Ti(η5-C5H4Me)2 (O2CCH2SMes)2] (2), [Ti(η5-C5H5)(η5 -C5H4SiMe3)(O2CCH2SMes )2] (3) and [Ti(η5-C5Me5)(O2CCH 2SMes)3] (4; Mes = 2,4,6-Me3C6H2) have been synthesised by the reaction of the corresponding titanium derivatives [Ti(η5-C5H5)2Cl 2], [Ti(η5-C5H4Me) 2Cl2], [Ti(η5-C5H5)(η5 -C5H4SiMe3)Cl2] and [Ti(η5-C5Me5)Cl3] and two (for 1-3) or three (for 4) equivalents of mesitylthioacetic acid. Complexes 1-4 have been characterized by spectroscopic methods and the molecular structure of the complexes 1, 2 and 4 have been determined by X-ray diffraction studies. The cytotoxic activity of 1-4 was tested against tumor cell lines human adenocarcinoma HeLa, human myelogenous leukemia K562, human malignant melanoma Fem-x, and normal immunocompetent cells, that is peripheral blood mononuclear cells PBMC and compared with those of the reference complexes [Ti(η5-C5H5)2Cl 2] (R1), [Ti(η5-C5H4Me)2Cl 2] (R2), [Ti(η5-C5H5)(η5 -C5H4SiMe3)Cl2] (R3) and cisplatin. In all cases, the cytotoxic activity of the carboxylate derivatives was higher than that of their corresponding dichloride analogues, indicating a positive effect of the carboxylato ligand on the final anticancer activity. Complexes 1-4 are more active against K562 (IC50 values from 72.2 to 87.9 μM) than against HeLa (IC50 values from 107.2 to 142.2 μM) and Fem-x cells (IC50 values from 90.2 to 191.4 μM).

The Synthesis of Cyclic Organosulfur Compounds from (C5H4)4Ti2C2S4 by Ligand Transfer Reactions

The tetrathiaoxalate complex Cp4Ti2C2S4 (1) reacts with an equimolar amount of COCl2 to give the blue-green mononuclear complex Cp2TiC2S4CO (4).This reaction is analogous to the known reactions of 1 with SCl2 or S2Cl2.However, when 1 was treated with equimolar amounts of the bifunctional sulfenyl chlorides 1,2-C2H4(SCl)2 (5), 1,3-C3H6(SCl)2 (6) or 1,2-C6H4(SCl)2 (7), the bi- or monocyclic tetrakisdisulfanes C6H8S8 (9b), C8H12S8 (10), and C14H8S8 (11), respectively, were obtained.The X-ray crystal structure analysis of 11*CS2 showed that 11 possesses Ci symmetry with a central exocyclic CC double bond similar to tetrathiafulvalenes: C6H4(μ-S2)2C=C(μ-S2)2C6H4. - Key Words: Titanocene complexes/ Organosulfur ligands/ Ligand transfer/ Organosulfur heterocycles/ Sulfur-sulfur bonds

Sulfur Compounds, 187. Synthesis of Bis(trichloromethyl)tetra- and -heptasulfane from Titanocene Polysulfide Complexes and Structure of (CCl3)2S7

CCl3SCl reacts with (C5H5)2TiS5 to give the heptasulfane (CCl3)2S7 which forms colorless crystals of m.p. 38 deg C.An X-ray structural analysis revealed that the C-S7-C chain is helical but the CCl3 groups are slightly tilted.In the triclinic crystals the molecules are arranged parallel to each other.Decomposition of (CCl3)2S7 provides other members of the homologous series with 4-12 sulfur atoms as shown by HPLC analysis.The reaction of CCl3SCl with (C5H4CH3)4Ti2S4 yields colorless crystals of (CCl3)2S4, demonstrating the usefulness also of dinuclear titanocene polysulfide complexes for the synthesis of organic polysulfanes.Infrared, Raman, and 13C-NMR spectra of (CCl3)2S4 and (CCl3)2S7 are reported. - Keywords: Organic polysulfanes; Titanocene compounds; Sulfur ligand transfer; Chain length equilibration; Sulfur helix

Reactions of titanocene polyselenide complexes with methyldichloroarsane: synthesis and properties of (CH3C5H4)2Ti(μ2-Se2)2AsCH3 and of (CH3As)2Se3

(C5H4CH3)4Ti2Se4 reacts at 0 deg C in CS2 with CH3AsCl2 in a molar ratio of 1:1 to give the novel (C5H4CH3)2TiSe4AsCH3, which forms air-stable black-violet crystals that have been characterized by 1H NMR, mass, and infrared spectra.When a molar ratio of 1:2 is used the novel (CH3As)2Se3 rather than (CH3As)2Se4 is obtained, as orange crystals together with elemental selenium. (CH3As)2Se3 can also be prepared from (C5H4CH3)2TiSe5 and CH3AsCl2 at 20 deg C in CS2; it probably contains five-membered 1,3-As2Se3 rings.

Sulfur compounds. CXXXIII. Synthesis and spectra of new titanocene complexes containing the chelating ligands C2S44-, C2S52-, and C2S62-

By analogy with the synthesis of 5-C5H5)2Ti>2C2S4 (1) from Cp2Ti(CO)2 and CS2, the compounds 2C2S4 (2) and 2C2S4 (3) were synthesized from the corresponding dicarbonyls (Me = CH3). 1 and 2 react with SCl2 in CH2C

Synthetic and reactivity studies on (C5H5)2Ti(μ-SH)2Mo(CO) 4 and related compounds

The compounds (RCp)2Ti(SH)2 (RCp = η5-C5H4R; 1a, R = H; 1b, R = CH3) react with C7H8M(CO)4 (M = Mo, W) to form the dimers (RCp)2Ti(μ-SH)2M(CO)4 (2a, R = H, M = Mo; 2b, R = CH3, M = Mo; 3, R = H, M = W) which were characterized analytically and spectroscopically. The reactivity of 2a,b differs sharply with that observed for 1a,b. While 1a,b show little nucleophilicity at sulfur, compounds 2a,b react with Ph2E2 (E = S, Se), S8, (RCp)2TiS5, and CH2=CHCO2Me to give (RCp)2Ti(EPh)2, (RCp)2TiS5, 1,4-[(RCp)2Ti]2S4, and (RCp)2Ti(SCH2CH2CO2Me) 2Mo(CO)4, respectively. 1H NMR studies show that the bimetallic compounds prepared in this study exist as a mixture of syn and anti isomers which differ in the relative orientation of the hydrogen substituent on the sulfur. Through DNMR studies it was shown that interconversion of these isomers occurs with ΔG* ≈ 72 kJ/mol which is comparable to the barriers found for other SR-bridged 34-electron dimers. While the facility of the isomerization process is unaffected by acid, catalytic quantities of triethylamine has an accelerating effect. Reaction of 2a,b with strong bases gives the highly reactive dianions which were isolated in pure form using bulky counterions.