Triisobutylborane

Base Information

• Chemical Name: Triisobutylborane
• CAS No.: 1116-39-8
• Molecular Formula: C12H27 B
• Molecular Weight: 182.157
• Hs Code.: 2931900090
• European Community (EC) Number: 214-235-3
• DSSTox Substance ID: DTXSID3061500
• Nikkaji Number: J203.336D
• Wikidata: Q81989504
• Mol file: 1116-39-8.mol

Synonyms:Triisobutylborane;1116-39-8;tris(2-methylpropyl)borane;Borane, tris(2-methylpropyl)-;EINECS 214-235-3;triisobutylboron;DTXSID3061500;XDSSGQHOYWGIKC-UHFFFAOYSA-

Chemical Property of Triisobutylborane

Chemical Property:

• Vapor Pressure: 0.172mmHg at 25°C
• Refractive Index: 1.4188
• Boiling Point: 219.9°Cat760mmHg
• Flash Point: 86.8°C
• PSA: 0.00000
• Density: 0.729g/cm³
• LogP: 4.44920
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 182.2205810
• Heavy Atom Count: 13
• Complexity: 92.5

Purity/Quality:

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

Safty Information:

• Pictogram(s): FC
• Hazard Codes: F:Highly flammable
• Statements: R11:Highly flammable.; R15:Contact with water liberates highly flammable gases.; R19:May form explosive peroxides.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S25:Avoid contact with eyes.; S36/37/39:Wear suitable protec

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(CC(C)C)(CC(C)C)CC(C)C

Technology Process of Triisobutylborane

There total 18 articles about Triisobutylborane 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: 93.75%

Isobutyl bromide (78-77-3) + boron trifluoride diethyl etherate (109-63-7) → triisobutylborane (1116-39-8)

Guidance literature:

With magnesium; In diethyl ether; for 6h; Concentration;

Reference yield: 10.0%

chloro-diisobutyl-borane (13317-64-1) → triisobutylborane (1116-39-8) + dichloro-isobutyl-borane (20610-58-6)

Guidance literature:

boiling under reflux for 16 h at 155°C;

DOI:10.1016/0022-1902(66)80115-X

Reference yield:

isobutene (115-11-7,15220-85-6) → triisobutylborane (1116-39-8)

Guidance literature:

With diborane; at 20 ℃;

DOI:10.1021/ja01186a020

upstream raw materials:

Trimethyl borate

triisobutylaluminum

tri-n-butoxyboroxin

(i-C₄H₉)2B(t-C₄H₉)

Downstream raw materials:

Diisobutyl-thioborsaeure-butylester

tricyclohexylborane

Dihydroxy-isobutyl-boran

Triisobutyl-boroxin

Refernces

• 1、 Brown,H.C.,Gupta,S.K.. "-". . p. 4062 - 4063. Retrieved 1971.
• 2、 -. "A method for preparing three zhong butyl boron hydride". Paragraph 0074-0083. . Retrieved 2018/04/01.
• 3、 Bochmann, Manfred,Sarsfield, Mark J.. "Reaction of AlR3 with [CPh3][B(C6F 5)4]: Facile degradation of [B(C6F 5)4]- by transient [AlR2] + ". . p. 5908 - 5912. Retrieved 2008/10/08.