TRI-N-OCTYLALUMINIUM

Base Information

• Chemical Name: TRI-N-OCTYLALUMINIUM
• CAS No.: 1070-00-4
• Molecular Formula: C24H51Al
• Molecular Weight: 366.65
• Hs Code.: 29310099
• European Community (EC) Number: 213-964-4
• UNII: 117MK64E7A
• DSSTox Substance ID: DTXSID0027357
• Wikidata: Q26841240
• Mol file: 1070-00-4.mol

Synonyms:Trioctylaluminum;Aluminum, trioctyl-;Trioctylalane;

Chemical Property of TRI-N-OCTYLALUMINIUM

Chemical Property:

• Appearance/Colour: clear colorless solution
• Vapor Pressure: 1hPa at 25℃
• Melting Point: <-40 °C
• Boiling Point: 126.4oC at 760mmHg
• Flash Point: -6 °F
• PSA: 0.00000
• Density: 0.701 g/mL at 25 °C
• LogP: 9.94350
• Storage Temp.: Flammables area
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 21
• Exact Mass: 366.3806150
• Heavy Atom Count: 25
• Complexity: 188

Purity/Quality:

99.9% ^*data from raw suppliers

Trioctylaluminum solution 25 wt. % in hexanes ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; C; N
• Hazard Codes: F,C,N
• Statements: 11-14-20/21/22-34-48-67-65-62-51-48/20-35-51/53-14/15
• Safety Statements: 9-16-23-26-36/37/39-45-61-62-43

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCC[Al](CCCCCCCC)CCCCCCCC
• Uses: Polyolefin catalyst.

Technology Process of TRI-N-OCTYLALUMINIUM

There total 8 articles about TRI-N-OCTYLALUMINIUM 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: 100.0%

oct-1-ene (111-66-0,25068-25-1) + triisobutylaluminum (100-99-2,130565-62-7) → trioctylaluminum (1070-00-4)

Guidance literature:

at 110 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5dt00955c

Reference yield: 98.0%

lithium aluminium tetrahydride (16853-85-3) + oct-1-ene (111-66-0,25068-25-1) + di(n-octyl)aluminum chloride (7325-26-0) → trioctylaluminum (1070-00-4)

Guidance literature:

In further solvent(s); byproducts: LiCl; LiAlH4, oct-1-ene loaded in a vertical-type ball mill under Ar or N2; mixt. heated with agitation for 20 min at 70°C; (C8H17)2AlCl added for 0.5 h (LiAlH4:(C8H17)2AlCl:oct-1-ene=1:1:4.28); mixt. agitated for 1h at 95-100°C; cooled; ppt. filtered off; olefin removed (vac., 1 Torr) at 80-90°C; elem. anal.;

DOI:10.1023/A:1022412818827

Reference yield: 91.0%

aluminium hydride + oct-1-ene (111-66-0,25068-25-1) → trioctylaluminum (1070-00-4)

Guidance literature:

In octane; under N2 or Ar; suspn. of (AlH3)(n) in octane heated to 120°C; olefin (1 equiv.) added dropwise; after 30 min temp. raised to 125°C (reflux); cooled to 100-110°C; olefin (2.1 equiv.) added over 3-4 h; kept (90-100°C, 1 h); cooled; filtered through glass filter; solvent amd excess olefin distd. off in vac. below 80°C (7 Torr); elem. anal.;

DOI:10.1023/A:1024765426527

upstream raw materials:

lithium aluminium tetrahydride

oct-1-ene

di(n-octyl)aluminum chloride

aluminum hydride

Downstream raw materials:

2-methylpentadecane

1-phenyl-1-undecen-3-one

octane

1-Decene

Refernces

• 1、 Gavrilenko. "One-step synthesis of trialkylaluminum derivatives and dialkylaluminum hydrides by the reaction of alkaline metal aluminum hydrides with α-olefins and alkylaluminum chlorides". . p. 168 - 169. Retrieved 2003.
• 2、 Weliange, Nandita M.,McGuinness, David S.,Gardiner, Michael G.,Patel, Jim. "Insertion, elimination and isomerisation of olefins at alkylaluminium hydride: An experimental and theoretical study". . p. 15286 - 15296. Retrieved 2015.