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:

97% ^*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]
• General Description: **Chlorotitanium triisopropoxide (ClTi(Oi-Pr)3)** is a titanium-based reagent used in the stereoselective cross-coupling of allenic alcohols with alkynes to form substituted 1,4-dienes and cross-conjugated trienes. It plays a key role in facilitating regio- and stereoselective transformations, enabling the synthesis of complex polycyclic systems. The reagent's reactivity is influenced by the substitution patterns of the substrates, allowing selective control over the reaction pathway.

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)

C₆H₅S(O)2CH₂Ti(OCH(CH₃)2)3

triisopropoxytitanium phenylacetyilide

(perfluoro phenyl) titanium tri-isopropanolate

Refernces

Reprint of "Allene-alkyne cross-coupling for stereoselective synthesis of substituted 1,4-dienes and cross-conjugated trienes"

10.1016/j.tet.2008.03.086

The research focuses on the titanium-mediated cross-coupling of allenic alcohols with alkynes to achieve the stereoselective synthesis of substituted 1,4-dienes and cross-conjugated trienes. The study reveals that the substitution on allenes significantly influences the reaction pathway, allowing for the selective formation of either 1,4-dienes or cross-conjugated trienes. Key chemicals used in the process include titanium(IV) isopropoxide (Ti(Oi-Pr)4), ClTi(Oi-Pr)3, c-C5H9MgCl, and various allenic alcohols and alkynes. The findings demonstrate that this method provides a highly regio- and stereoselective approach to synthesize complex molecular structures, highlighting its potential utility in the synthesis of complex polycyclic systems.