Titanum tetra t-butoxide

Base Information

• Chemical Name: Titanum tetra t-butoxide
• CAS No.: 3087-39-6
• Deprecated CAS: 216859-07-3,24997-09-9,78788-28-0
• Molecular Formula: C16H36O4Ti
• Molecular Weight: 340.339
• Hs Code.: 29319090
• European Community (EC) Number: 221-412-9
• UNII: PX6YR1S99S
• DSSTox Substance ID: DTXSID70890571
• Nikkaji Number: J91.393F
• Wikidata: Q27286806
• Mol file: 3087-39-6.mol

Synonyms:Titanum tetra t-butoxide;Titanium(IV) tert-butoxide;119279-48-0;3087-39-6;titanium(iv)tert-butoxide;PX6YR1S99S;2-methylpropan-2-olate;titanium(4+);EINECS 221-412-9;2-Propanol, 2-methyl-, titanium(4+) salt (4:1);UNII-PX6YR1S99S;Titanate(1-), tetrakis(2-methyl-2-propanolato)-, (T-4)-;Titanium tetra-tert-butoxide;Titanium(4+) 2-methylpropan-2-olate;titanium tert-butoxide;TERT-BUTYL TITANATE;Tetra-tert-butoxytitanium(IV);TERT-BUTYL ORTHOTITANATE;DTXSID70890571;GRWPYGBKJYICOO-UHFFFAOYSA-N;T-BUTANOL TITANIUM(4+) SALT;TITANUM TETRA T-BUTOXIDE [INCI];TITANIUM TETRAKIS(TERT-BUTANOLATE);Q27286806

Chemical Property of Titanum tetra t-butoxide

Chemical Property:

• Vapor Pressure: 46mmHg at 25°C
• Refractive Index: n20/D 1.438
• Boiling Point: 70oC (2 mmHg) ,84.6oC at 760 mmHg
• Flash Point: 11.7oC
• PSA: 36.92000
• Density: 0.881 g/mL at 25 °C(lit.)
• LogP: 5.06320
• Storage Temp.: Store below +30°C.
• Sensitive.: moisture sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 340.2093003
• Heavy Atom Count: 21
• Complexity: 25.1

Purity/Quality:

99.9% ^*data from raw suppliers

Titanium(IV) t-butoxide (99.95%-Ti) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Metal Alkoxides
• Canonical SMILES: CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ti+4]
• Uses: tert-Butoxytitanium (IV) is used in the preparation of moisture-curable modified polysiloxane and silicone rubber.

Technology Process of Titanum tetra t-butoxide

There total 4 articles about Titanum tetra t-butoxide 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: 88.6%

tris(tert-butyloxy)nitridomolybdenum (82209-31-2) + tetrakis(dimethylamino)titanium (3275-24-9) → Mo(≡N)(NMe2)3 (183559-62-8) + titanium(IV) tert-butoxide (3087-39-6)

Guidance literature:

In toluene; N2-atmosphere; equimolar amts., stirring for 3 h; crystn. (-35°C; two crops), collection (filtration), washing (pentane), drying (vac.); elem. anal.;

Reference yield: 84.6%

titanium tetrachloride (7550-45-0) + tert-butyl alcohol (75-65-0) → titanium(IV) tert-butoxide (3087-39-6)

Guidance literature:

With lithium; N,N-dimethyl-formamide; In hexane; alcohol added at the boil to a suspension of Li in hexane, stirred cooled, TiCl4 and HCON(CH3)2 added dropwise with stirring; upper layer separated, solvent removed, product distilled under vacuum;

Reference yield:

titanium (IV) ethoxide (3087-36-3) + tert-butyl alcohol (75-65-0) → titanium(IV) tert-butoxide (3087-39-6)

Guidance literature:

upstream raw materials:

titanium (IV) ethoxide

tert-butyl alcohol

titanium tetrachloride

tris(tert-butyloxy)nitridomolybdenum

Downstream raw materials:

di-tert-butyl peroxide

acetone

tert-butyl alcohol

2-methyl-2,4-pentanediol

Refernces

• 1、 Yatluk,Suvorov. "SYNTHESIS OF ALKYL ORTHOTITANATES IN TWO-PHASE SYSTEMS.". . p. 1678 - 1680. Retrieved 2008/10/08.