CAS 546-68-9 Tetraisopropyl Orthotitanate - Materials / Alfa Chemistry

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Tetraisopropyl Orthotitanate

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Catalog Number

ACM546689-1

CAS Number

546-68-9

Product Name

Tetraisopropyl Orthotitanate

Category

Salt

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.;Liquid

IUPAC Name

propan-2-olate;titanium(4+)

Molecular Weight

284.22g/mol

Molecular Formula

C12H28O4Ti

Canonical SMILES

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

InChI

InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4

InChI Key

VXUYXOFXAQZZMF-UHFFFAOYSA-N

Boiling Point

220 °C @ 760 mm Hg

Melting Point

Approx 20 °C

Density

0.9711 @ 20 °C/4 °C

Solubility

Sol in anhydrous ethanol, ether, benzene, chloroform

Application

Tetraisopropyl Orthotitanate is a versatile compound, primarily serving as a colourless to light yellow liquid catalyst in various organic syntheses. It plays a critical role in advancing asymmetric induction and is indispensable in the preparation of nanosized TiO2. As a Lewis acid and complexing agent in the sol-gel process, it is instrumental in the synthesis of acyclic and allylic epoxy alcohols, as well as the diastereoselective reduction of alpha-fluoroketones. Additionally, Tetraisopropyl Orthotitanate facilitates the asymmetric allylation of ketones and is a key reagent for synthesizing cyclopropylamines from aryl and alkenyl nitriles. It is also valuable in the racemic and enantioselective addition of nucleophiles to aldehydes, ketones, and imines, assisting in catalytic intramolecular formal [3+2] cycloadditions. Moreover, it acts as a catalyst in the synthesis of cyclopropanols from esters and organomagnesium reagents, making it essential in numerous chemical processes.

Color/Form

Light-yellow liquid;Colorless to light-yellowish fluid

Complexity

10.8

Covalently-Bonded Unit Count

EC Number

208-909-6

Exact Mass

284.1467g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms