Dichlorodi-pi-indenyltitanium

Base Information

• Chemical Name: Dichlorodi-pi-indenyltitanium
• CAS No.: 12113-02-9
• Molecular Formula: C18H14Cl2Ti
• Molecular Weight: 349.095
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70923691
• Mol file: 12113-02-9.mol

Synonyms:Dichlorodi-pi-indenyltitanium;5H-inden-5-ide;titanium(4+);dichloride;Titanium, dichlorodi-pi-indenyl-;Bis(eta(sup 5)-indenyl)dichlorotitan(IV) [German];DTXSID70923691;LS-153910;Titanium(4+) chloride 1H-inden-1-ide (1/2/2)

Chemical Property of Dichlorodi-pi-indenyltitanium

Chemical Property:

• Appearance/Colour: White Powder
• Vapor Pressure: 1.15mmHg at 25°C
• Melting Point: 190-200 °C(lit.)
• Boiling Point: 298.6°Cat760mmHg
• Flash Point: 96.6°C
• PSA: 0.00000
• Density: g/cm³
• LogP: 5.15480
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 347.995197
• Heavy Atom Count: 21
• Complexity: 84.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dichlorobis(indenyl)titanium(IV) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C[C-]2C=CC=C2C=C1.C1=C[C-]2C=CC=C2C=C1.[Cl-].[Cl-].[Ti+4]

Technology Process of Dichlorodi-pi-indenyltitanium

There total 2 articles about Dichlorodi-pi-indenyltitanium 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: 70.0%

titanium tetrachloride (7550-45-0) + 1-indene (95-13-6) → bis(η5-indenyl)titanium dichloride (12113-02-9)

Guidance literature:

With n-butyllithium; chloro-trimethyl-silane; ammonium chloride; In tetrahydrofuran; dichloromethane; Petroleum ether; Ar; nBuLi, indene, petroleum ether, -10°C; stirring, room temp.; ppt. dissolved in THF; Me3SiCl in THF added; stirring, room temp., 6 h; aq. NH4Cl added, 0°C; extd. with Et2O; evapn.; dissolved in CH2Cl2; TiCl4/CH2Cl2 added, stirring; solvent removed under vac., residue washed with petroleum ether, dried; elem. anal.;

DOI:10.1039/b315482c

Reference yield: 63.0%

indenyl thallium(I) (82163-52-8) + titanium tetrachloride (7550-45-0) → bis(η5-indenyl)titanium dichloride (12113-02-9)

Guidance literature:

In tetrahydrofuran; soln. of TlC9H7 added slowly with stirring to soln. of TiCl4, reacted for 4 h with stirring, then refluxed for 2 h at 68°C; filtered, concd. (vac.), filtered, pptd. (petroleum ether at 40-60°C), recrystd. (CH2Cl2); elem. anal.;

Reference yield: 70.0%

bis(η5-indenyl)titanium dichloride (12113-02-9) + 4-chloro-phenol (106-48-9,82344-39-6) → (C9H7)2Ti(OC6H4Cl)Cl (89989-44-6)

Guidance literature:

With Et₃N; In benzene; byproducts: Et3N*HCl; reflux at 80°C 4h, cooling to room temp.; Et3N*HCl filtered, soln. concd., petroleum ether added, after 1 h crystals filtered; elem. anal.;

DOI:10.1007/BF00799928

upstream raw materials:

titanium tetrachloride

1-indene

indenyl thallium(I)

Downstream raw materials:

(C₉H₇)2Ti(OC₆H₄Cl)Cl

(C₉H₇)2Ti(OC₆H₄Cl)2

Refernces

• 1、 Polo, Eleonora,Barbieri, Andrea,Traverso, Orazio. "From zirconium to titanium: The effect of the metal in t-butylacrylate photoinitiated polymerisation". . p. 652 - 656. Retrieved 2007/11/03.