Aluminum, tributyl-

Base Information

• Chemical Name: Aluminum, tributyl-
• CAS No.: 1116-70-7
• Molecular Formula: C12H27Al
• Molecular Weight: 198.328
• Hs Code.: 29310099
• European Community (EC) Number: 214-240-0
• UNII: 6VB9URN2FA
• UN Number: 3051
• DSSTox Substance ID: DTXSID9027362
• Wikidata: Q26840911
• Mol file: 1116-70-7.mol

Synonyms:Aluminum, tributyl-;Tributylaluminum;TRI-N-BUTYLALUMINUM;Tributylaluminium;1116-70-7;tributylalumane;6VB9URN2FA;TRIBUTYL ALUMINUM;UNII-6VB9URN2FA;HSDB 5784;EINECS 214-240-0;TRIBUTYLALANE;EC 214-240-0;DTXSID9027362;TRI-N-BUTYLALUMINUM [HSDB];MFCD00042900;NS00081598;Q26840911

Chemical Property of Aluminum, tributyl-

Chemical Property:

• Melting Point: -27 °C
• Boiling Point: 98°C
• PSA: 0.00000
• Density: 0.711
• LogP: 5.26230
• Storage Temp.: water-free area
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 198.1928143
• Heavy Atom Count: 13
• Complexity: 72.1
• Transport DOT Label: Spontaneously Combustible Dangerous When Wet

Purity/Quality:

99.9% ^*data from raw suppliers

TRI-N-BUTYLALUMINUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N-C-F
• Hazard Codes: N-C-F
• Statements: 67-65-50/53-34-14/15-11
• Safety Statements: 6A-57-45-43E-36/37/39-29-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[Al](CCCC)CCCC
• Uses: Production of organo-tin compounds.

Technology Process of Aluminum, tributyl-

There total 9 articles about Aluminum, tributyl- 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: 88.0%

(i-Bu3Al)2*diphos → tri(n-butyl)aluminium (1116-70-7)

Guidance literature:

In neat (no solvent); heated slowly under 1E-2 mmHg in a trap-to-trap distillation apparatus (receiver flask at -196 °C), liberation of i-Bu3Al started at 80 °C, the rate was more satisfactory at 120-130 °C;;

DOI:10.1016/S0277-5387(00)81226-7

Reference yield: 54.0%

aluminum (III) chloride (7446-70-0,7784-13-6) + n-butyllithium (109-72-8,29786-93-4) → tri(n-butyl)aluminium (1116-70-7)

Guidance literature:

In hexane; at 20 ℃; Schlenk technique; Glovebox; Inert atmosphere;

DOI:10.1021/acs.organomet.1c00601

Reference yield:

aluminum (III) chloride (7446-70-0,7784-13-6) + 1-iodo-butane (542-69-8) → tri(n-butyl)aluminium (1116-70-7)

Guidance literature:

1-iodo-butane; With n-butyllithium; In tetrahydrofuran; Inert atmosphere; Glovebox;

aluminum (III) chloride; In tetrahydrofuran; at 20 ℃; for 0.75h; Inert atmosphere; Glovebox;

DOI:10.1021/acs.joc.5b02077

upstream raw materials:

1-iodo-butane

1-bromo-butane

methoxybenzene

dibutylmagnesium

Downstream raw materials:

2-methyl-1-hexene

triethylaluminum

nickel

tributylstibine

Refernces

• 1、 Dolzine,T.W.,Oliver,J.P.. "". . p. 1737 - 1741. Retrieved 1974.
• 2、 Shrestha, Bijay,Thapa, Surendra,Gurung, Santosh K.,Pike, Ryan A. S.,Giri, Ramesh. "General copper-catalyzed coupling of alkyl-, aryl-, and alkynylaluminum reagents with organohalides". . p. 787 - 802. Retrieved 2016/02/18.