Borane, methylbis(pentafluorophenyl)-

Base Information

• Chemical Name: Borane, methylbis(pentafluorophenyl)-
• CAS No.: 170151-48-1
• Molecular Formula: C13H3BF10
• Molecular Weight: 359.962
• DSSTox Substance ID: DTXSID801258927
• Nikkaji Number: J1.041.115G
• Mol file: 170151-48-1.mol

Synonyms:Methylbis(perfluorophenyl)borane;170151-48-1;starbld0002178;Methylbis(pentafluorophenyl)borane;DTXSID801258927;Methylbis(2,3,4,5,6-pentafluorophenyl)borane

Chemical Property of Borane, methylbis(pentafluorophenyl)-

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 360.0168119
• Heavy Atom Count: 24
• Complexity: 371

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C)(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of Borane, methylbis(pentafluorophenyl)-

There total 30 articles about Borane, methylbis(pentafluorophenyl)- 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: 93.0%

(CH3C(NSi(CH2CH2Si(C6H5)2CH3)3)2)Al(CH3)2 + tris(pentafluorophenyl)borate (1109-15-5) → (CH3C(NSi(CH2CH2Si(C6H5)2CH3)3)2)Al(CH3)(C6F5) + methylbis(pentafluorophenyl)borane (170151-48-1)

Guidance literature:

In toluene; under Ar; B(C6F5)3 (1 equiv.) added to soln. of Al complex in toluene; stirred at room temp. for several d; solvent evapd.; placed under high vac. at 45°C overnight; elem. anal.;

DOI:10.1021/om049010p

Reference yield: 87.0%

dimethyltitanocene (1271-66-5) + bis(pentafluorophenyl)borohydride (165612-94-2) → [(η5-C5H5)2Ti(μ-H)2B(C6F5)2] (273200-60-5) + methylbis(pentafluorophenyl)borane (170151-48-1)

Guidance literature:

In toluene; byproducts: CH4; in air Ti-compd. was placed into a flask, flask was evacuated, toluene was condensed onto solid at -78 °C, B-compd. was dissolved in hottoluene and added to Ti-compd., soln. was warmed up to room temp., stirred overnight; solvent was removed in vac., hexanes were condensed onto residue, mixt.was filtered, ppt. was twice washed with hexanes, elem. anal.;

DOI:10.1021/om0001319

Reference yield: 77.0%

bis(cyclopentadienyl)dimethylzirconium(IV) (12636-72-5) + bis(pentafluorophenyl)boron chloride (2720-03-8) → zirconocene dichloride (1291-32-3) + methylbis(pentafluorophenyl)borane (170151-48-1)

Guidance literature:

In toluene; 2 equivs. of borane, stirring for 1 h at room temp.; filtration off of Cp2ZrCl2, evapn., sublimation (30-40°C, high vac.); NMR spectroscopy;

DOI:10.1021/om9802313

upstream raw materials:

tris(pentafluorophenyl)borate

(1,8-diphenyl-7,6-dimethylcarbazolide)dimethylaluminium

bis(2,2,6,6-tetramethylpiperidino)methylaluminium

dimethyl zinc(II)

Downstream raw materials:

Cp2Zr(μ-CH2)[(μ-Cl)B(pentafluorophenyl)2]

Cp2ZrCl[(μ-H)2B(pentafluorophenyl)2]

(Cp₂ZrMe)(Me₂B(C₆F₅)2)

(CH₃C₆H₄)2CC(CH₃)B(C₆F₅)2