2-Methylpropan-2-olate;zirconium(4+)

Base Information

• Chemical Name: 2-Methylpropan-2-olate;zirconium(4+)
• CAS No.: 2081-12-1
• Molecular Formula: 4C₄H₉O*Zr
• Molecular Weight: 383.683
• Hs Code.: 2909199090
• European Community (EC) Number: 629-227-9
• Nikkaji Number: J91.384G
• Mol file: 2081-12-1.mol

Synonyms:2081-12-1;zirconium tert-butoxide;zirconium tetra-tert-butoxide;BGGIUGXMWNKMCP-UHFFFAOYSA-N;AKOS015904235;Tetra-tert-butyl zirconate, Tetra-tert-butoxyzirconium, ZTB, Zirconium tert-butanolate

Chemical Property of 2-Methylpropan-2-olate;zirconium(4+)

Chemical Property:

• Appearance/Colour: colorless or yellow fuming clear liquid
• Melting Point: 3°C
• Refractive Index: n20/D 1.424(lit.)
• Boiling Point: 81 °C3 mm Hg(lit.)
• Flash Point: 185 °F
• PSA: 36.92000
• Density: 0.985 g/mL at 25 °C(lit.)
• LogP: 5.06320
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Decomposes in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 382.166058
• Heavy Atom Count: 21
• Complexity: 25.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Zirconium(IV) t-butoxide, 99% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Zr+4]
• Uses: Zirconium(IV) tert-butoxide may be used to synthesize chiral N-tert-butanesulfinyl trifluoromethyl ketimines. Zirconia coatings on stainless steel substrates for optical applications can be prepared from zirconium (IV) tert-butoxide precursor by sol gel method.

Technology Process of 2-Methylpropan-2-olate;zirconium(4+)

There total 3 articles about 2-Methylpropan-2-olate;zirconium(4+) 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:

Zr(SeSi(Si(CH3)3)3)4 + tert-butyl alcohol (75-65-0) → zirconium tetrabutoxide (2081-12-1)

Guidance literature:

In not given; byproducts: HSe(SiMe3)3; inert atmosphere; 2 equiv. t-BuOH; not isolated, detd. by NMR spectroscopy;

DOI:10.1021/ic9600689

Reference yield:

BaZr2(tert-butoxide)10 → zirconium tetrabutoxide (2081-12-1)

Guidance literature:

In neat (no solvent, solid phase); N2 atmosphere, >230°C;

DOI:10.1002/(SICI)1099-0682(199809)1998:9<1327::AID-EJIC1327>3.0.CO;2-U

Reference yield:

→ zirconium tetrabutoxide (2081-12-1)

Guidance literature:

Herstellung;

DOI:10.1021/ja01637a080

upstream raw materials:

tert-butyl alcohol