Titanium tetraisopropanolate| Pharmaceutical Grade | 99.99% Purity | 10mg 20mg 30mg Vials | CAS 546-68-9

Titanium tetraisopropanolate Basic information
Reactions
Product Name: Titanium tetraisopropanolate
Synonyms: ISOPROPYL TITANATE;ISOPROPYL TITANATE(IV);TITANIUM ISOPROPOXIDE;TITANIUM ISO-PROPYLATE;TITANIUM (IV) I-PROPOXIDE;TITANIUM(IV) ISOPROPOXIDE;TITANIUM (IV) TETRA-I-PROPOXIDE;TITANIUM(IV) TETRAISOPROPOXIDE
CAS: 546-68-9
MF: C12H28O4Ti
MW: 284.22
EINECS: 208-909-6
Product Categories: TITANIUM;Catalysts for Organic Synthesis;Classes of Metal Compounds;Homogeneous Catalysts;Synthetic Organic Chemistry;Ti (Titanium) Compounds;Organic-metal salt;Titanium Alkoxides, etc. (Homogeneous Catalysts);Transition Metal Compounds;metal alkoxide;546-68-9;T0001
Mol File: 546-68-9.mol
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Titanium tetraisopropanolate Chemical Properties
Melting point 14-17 °C(lit.)
Boiling point 232 °C(lit.)
density 0.96 g/mL at 20 °C(lit.)
vapor pressure 60.2hPa at 25℃
refractive index n20/D 1.464(lit.)
Fp 72 °F
storage temp. Flammables area
solubility Soluble in anhydrous ethanol, ether, benzene and chloroform.
form Liquid
color Colorless to pale yellow
Specific Gravity 0.955
Water Solubility HYDROLYSIS
FreezingPoint 14.8℃
Hydrolytic Sensitivity 7: reacts slowly with moisture/water
Sensitive Moisture Sensitive
Merck 14,9480
BRN 3679474
Stability: Stable, but decomposes in the presence of moisture. Incompatible with aqueous solutions, strong acids, strong oxidizing agents. Flammable.
InChI 1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
InChIKey VXUYXOFXAQZZMF-UHFFFAOYSA-N
SMILES CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
LogP 0.05
CAS DataBase Reference 546-68-9(CAS DataBase Reference)
EPA Substance Registry System 2-Propanol, titanium(4+) salt (546-68-9)

Safety Information
Hazard Codes Xi,F
Risk Statements 10-36-36/37/38-11-67
Safety Statements 16-26-36/37/39-7/9
RIDADR UN 2413 3/PG 3
WGK Germany 2
RTECS NT8060000
F 21
TSCA TSCA listed
HazardClass 3
PackingGroup III
HS Code 29051900
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
STOT SE 3
Hazardous Substances Data 546-68-9(Hazardous Substances Data)
MSDS Information
Provider Language
Titanium(IV) isopropoxide English
ACROS English
SigmaAldrich English
ALFA English

Titanium tetraisopropanolate Usage And Synthesis
Reactions
Catalyst for the synthesis of acyclic epoxy alcohols and allylic epoxy alcohols.
Useful for diastereoselective reduction of alpha-fluoroketones.
Catalyzes the asymmetric allylation of ketones.
Reagent for the synthesis of cyclopropylamines from aryl and alkenyl nitriles.
Useful for racemic and/or enantioselective addition of nucleophiles to aldehydes, ketones and imines.
Catalytic intramolecular formal [3+2] cycloaddition.
Catalyst for the synthesis of cyclopropanols from esters and organomagnesium reagents
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Chemical Properties colourless to light yellow liquid
Uses Titanium(IV) isopropoxide is used as a precursor for the preparation of titanium and barium-strontium-titanate thin films. It is useful to make porous titanosilicates and potential ion-exchange materials for cleanup of radioactive wastes. It is an active component of Sharpless epoxidation as well as involved in the synthesis of chiral epoxides. In Kulinkovich reaction, it is involved as a catalyst in the preparation of cyclopropanes.
Uses Catalyst especially for asymmetric induction in organic syntheses; in preparation of nanosized TiO2. Complexing agent in sol-gel process.
Definition ChEBI: Titanium(IV) isopropoxide is a titanium coordination entity consisting of a titanium(IV) cation with four propan-2-olate anions as counterions.
General Description Tetraisopropyl titanate appears as a water-white to pale-yellow liquid with an odor like isopropyl alcohol. About the same density as water. Vapors heavier than air.
Air & Water Reactions Highly flammable. Fumes in air. Soluble in water. Decomposes rapidly in water to form flammable isopropyl alcohol.
Reactivity Profile Metal alkyls, such as TETRAISOPROPYL TITANATE, are reducing agents and react rapidly and dangerously with oxygen and with other oxidizing agents, even weak ones. Thus, they are likely to ignite on contact with alcohols.
Health Hazard Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
Flammability and Explosibility Flammable
reaction suitability core: titanium
reagent type: Lewis acid
reagent type: catalyst
Purification Methods Dissolve it in dry *C6H6 , filter if a solid separates, evaporate and fractionate. It is hydrolysed by H2O to give solid Ti2O(iso-OPr)2 m ca 48o. [Bradley et al. J Chem Soc 2027, 1952, Bradley et al. J Chem Soc 469 1957, Beilstein 1 II 328, 1 IV 1469S.]

Titanium tetraisopropanolate Preparation Products And Raw materials
Raw materials Toluene-->Isopropyl alcohol-->Titanium tetrachloride-->(S)-tert-Butyl 6-amino-2-((tert-butoxycarbonyl)amino)hexanoate hydrochloride-->2-Anilinoacetophenone-->METHYLTITANIUM TRIISOPROPOXIDE-->CHLOROTITANIUM TRIISOPROPOXIDE-->Sodium propan-2-olate-->Titanium
Preparation Products (+)-DISPARLURE-->6-FLUORO-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBONITRILE-->6-FLUORO-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBOXYLIC ACID-->3-PHENOXYBENZALDEHYDE CYANOHYDRIN-->2,3-DIHYDROXYPROPYL METHACRYLATE-->Ti(BINOL)complex-->TETRAISOPROPYL ORTHOSILICATE-->Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 1-methylethyl ester (9CI)-->N,N,N',N'-TETRAKIS(2-ETHOXY)ETHYLEDIAMINE TITANIUM(IV)