CHLOROTITANIUM TRIISOPROPOXIDE

Base Information

• Chemical Name: CHLOROTITANIUM TRIISOPROPOXIDE
• CAS No.: 20717-86-6
• Molecular Formula: C9H21ClO3Ti
• Molecular Weight: 260.597
• Hs Code.: 29051990
• Wikidata: Q27292192
• Mol file: 20717-86-6.mol

Synonyms:Titanium,chlorotriisopropoxy- (7CI,8CI);Chlorotitanium triisopropoxide;Chlorotitanium tris(isopropoxide);Chlorotriisopropoxytitanium;Chlorotriisopropyl titanate;Chlorotris(isopropanolato)titanium;Chlorotris(isopropoxy)titanium;Monochlorotitanium triisopropoxide;Titanium chloride triisopropoxide;Titanium chlorotris(isopropoxide);Titaniumtriisopropoxide chloride;Triisopropoxychlorotitanium;Triisopropoxycyclochlorotitanium;Triisopropoxytitaniumchloride;Tris(isopropyloxy)titaniumchloride;

Chemical Property of CHLOROTITANIUM TRIISOPROPOXIDE

Chemical Property:

• Appearance/Colour: Colorless to yellow liquid or low melting solid
• Melting Point: 35-40 °C
• Boiling Point: 63-66 °C 0,1mm
• Flash Point: 72 °F
• PSA: 27.69000
• Density: 1.091 g/mL at 25 °C(lit.)
• LogP: 3.31660
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 260.0658629
• Heavy Atom Count: 14
• Complexity: 12.8

Purity/Quality:

99% ^*data from raw suppliers

Chlorotitanium triisopropoxide, 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; C
• Hazard Codes: C,F,N
• Statements: 10-34-23/24/25-11-67-65-62-51/53-48/20
• Safety Statements: 26-36/37/39-45-27-16-62-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti+3]
• Uses: Chlorotriisopropoxytitanium(IV) solution may be used as a precursor for the synthesis of ultralow density ceramic materials. The product may be used to mediate a reductive amination reaction of 5α-cholestane-3,7-dione to yield aryl aminocholestanes.

Technology Process of CHLOROTITANIUM TRIISOPROPOXIDE

There total 6 articles about CHLOROTITANIUM TRIISOPROPOXIDE 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: 95.0%

titanium(IV) isopropylate (546-68-9) + titanium tetrachloride (7550-45-0) → triisopropoxytitanium(IV) chloride (20717-86-6)

Guidance literature:

In neat (no solvent); TiCl4 was slowly added to tetraisopropoxytitanium at 0°C, then the mixt. allowed to warm up to room temp.;; distn. (61-65°C/0.1 Torr), the purity of the product exceeds 98 %, it solidified at room temp., but could be easily liquified to handle;;

Reference yield:

phenyltriisopropoxytitanium(IV) (16635-23-7) + 3-chloroprop-1-ene (107-05-1) → triisopropoxytitanium(IV) chloride (20717-86-6) + allylbenzene (300-57-2,57807-91-7)

Guidance literature:

bis(η3-allyl-μ-chloropalladium(II)); In diethyl ether; benzene; reaction of soln. of PhTi(i-OPr)3 in ether (obtained from reaction of PhLi with ClTi(i-OPr)3 in ether) with soln. of allylchloride and (C3H5PdCl)2 in benzene at 20°C under Ar;; not isolated;;

DOI:10.1007/BF00959380

Reference yield:

titanium(IV) isopropylate (546-68-9) → triisopropoxytitanium(IV) chloride (20717-86-6)

Guidance literature:

upstream raw materials:

titanium(IV) isopropylate

titanium tetrachloride

phenyltriisopropoxytitanium(IV)

3-chloroprop-1-ene

Downstream raw materials:

phenyltriisopropoxytitanium(IV)

titanium(IV) isopropylate

Refernces

• 1、 Kobayashi, Yusuke,Matsuda, Atsushi,Ushimaru, Tomoya,Harada, Toshiro. "Catalytic enantioselective addition of an in-situ prepared aryltitanium reagent to p-chloroacetophenone: (r)-(+)-1-(4-chlorophenyl)-1-m-tolylethanol". . p. 333 - 350. Retrieved 2019/11/21.
• 2、 Matsuda, Atsushi,Ushimaru, Tomoya,Kobayashi, Yusuke,Harada, Toshiro. "Catalytic Enantioselective Arylation and Heteroarylation of Ketones with Organotitanium Reagents Generated In Situ". supporting information. p. 8605 - 8609. Retrieved 2017/06/30.