Tri-tert-butoxyaluminum

Base Information

• Chemical Name: Tri-tert-butoxyaluminum
• CAS No.: 556-91-2
• Deprecated CAS: 144501-46-2,1498290-13-3,200575-20-8,3099-76-1,344914-50-7,856321-03-4,918344-19-1
• Molecular Formula: C12H27AlO3
• Molecular Weight: 254.275
• Hs Code.: 29051990
• European Community (EC) Number: 209-146-1
• NSC Number: 4648
• Mol file: 556-91-2.mol

Synonyms:Aluminum tert-butoxide;556-91-2;Tri-tert-butoxyaluminum;Aluminum, tri-tert-butoxy-;Aluminum, tris-tert-butoxy-;aluminum;2-methylpropan-2-olate;NSC-4648;SCHEMBL2261408;NSC4648

Chemical Property of Tri-tert-butoxyaluminum

Chemical Property:

• Appearance/Colour: slightly yellow crystalline powder
• Melting Point: 241°C
• Boiling Point: 156°C 2mm
• Flash Point: >65°C
• PSA: 27.69000
• Density: 1,0251g/cm³
• LogP: 3.79740
• Sensitive.: Moisture Sensitive
• Solubility.: Very soluble in organic solvents like alcohols, benzene, toluene
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 101.0547033
• Heavy Atom Count: 6
• Complexity: 25.1

Purity/Quality:

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

Aluminum tert-Butoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; C
• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 8-16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)O.[Al]
• Uses: Reagent for oxidation of alcohols to ketones; in dealcoholation of orthoesters. Aluminum tert-butoxide is utilized as a reagent in the Oppenauer oxidation of alcohols to ketones. It is also used in Meerwein-Ponndorf-Verley reduction of ketones. It is actively involved in the preparation of 1,1,2-triethoxyethene by reacting with 1,1,2,2-tetraethoxyethane followed by the elimination of alcohol.

Technology Process of Tri-tert-butoxyaluminum

There total 18 articles about Tri-tert-butoxyaluminum 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:

di(tert.-butoxy)-tert.-butylperoxyaluminum → aluminum tri-tert-butoxide (556-91-2)

Guidance literature:

With (C₆H₅CH₂)2S; In benzene; byproducts: (C6H5CH2)2SO2; (Ar); mixing of ((CH3)3CO)2AlOOC(CH3)3 (2 equiv.) and (C6H5CH2)2S in benzene at 20°C;

DOI:10.1007/s11172-005-0026-9

Reference yield:

aluminium (7429-90-5) + tert-butyl alcohol (75-65-0) → aluminum tri-tert-butoxide (556-91-2)

Guidance literature:

In not given; under Ar; reaction of Al with tert-butanol; according to Sintezy organicheskikh preparatov (Organic Syntheses), Moscow: Inostrannaya Literatura,1952, vol. 3, p. 119; sublimation at 160-170°C (1 mm Hg); elem. anal.;

DOI:10.1007/s11176-005-0375-y

Reference yield:

tert-butyl alcohol (75-65-0) → aluminum tri-tert-butoxide (556-91-2)

Guidance literature:

With amalgamated Al; reaction of amalgamated aluminum with org. compd. (reaction flask thermostated at 78°C), according to: V. E. Tishchenko, Zhur. Russ. Fiz.-Khim. Obshch. 31 (1899) 694, 784; recrystn. from benzene; elem. anal.;

upstream raw materials:

aluminium

tert-butyl alcohol

(benzoylacetonato)di-tert-butoxyaluminium

di(tert-butoxy)aluminum hydride

Downstream raw materials:

Progesterone

16β-methyl-17α-progesterone

20-methyl-21.21-diphenyl-pregnadien-(4.20)-one-⁽³⁾

methyl 12α-hydroxy-3-oxo-5β-cholan-24-oate

Refernces

• 1、 Zaburdaeva,Lopatin,Lopatina,Dodonov. "Oxidation of fullerene C60 with the system aluminum tri-tert-butoxide-tert-butyl hydroperoxide". . p. 304 - 308. Retrieved 2008.
• 2、 Stepovik,Gulenova,Shavyrin,Fukin. "Low-temperature oxidation of 3,6-di-tert-butyl-o-benzoquinone and 3,6-di-tert-butylpyrocatechol with tert-butyl hydroperoxide in the presence of aluminum, titanium, and zirconium tert-butylates". . p. 1275 - 1281. Retrieved 2008/02/03.