1,2-Bis[bis(pentafluorophenyl)boryl]tetrafluorobenzene

Base Information

• Chemical Name: 1,2-Bis[bis(pentafluorophenyl)boryl]tetrafluorobenzene
• CAS No.: 223769-13-9
• Molecular Formula: C30B2F24
• Molecular Weight: 837.914
• DSSTox Substance ID: DTXSID50478851
• Nikkaji Number: J1.105.275D
• Wikidata: Q82312502
• Mol file: 223769-13-9.mol

Synonyms:1,2-Bis[bis(pentafluorophenyl)boryl]tetrafluorobenzene;223769-13-9;SCHEMBL5495287;DTXSID50478851;IBLWLIPJHDGLJN-UHFFFAOYSA-N

Chemical Property of 1,2-Bis[bis(pentafluorophenyl)boryl]tetrafluorobenzene

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 6
• Exact Mass: 837.9802862
• Heavy Atom Count: 56
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C(=C(C(=C1F)F)F)F)B(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F)(C4=C(C(=C(C(=C4F)F)F)F)F)C5=C(C(=C(C(=C5F)F)F)F)F

Technology Process of 1,2-Bis[bis(pentafluorophenyl)boryl]tetrafluorobenzene

There total 3 articles about 1,2-Bis[bis(pentafluorophenyl)boryl]tetrafluorobenzene 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: 55.0%

1,2-C6F4(BBr2)2 (223769-11-7) + bis(pentafluorophenyl)zinc (1799-90-2) → 1,2-C6F4(B(C(C6F5)2)2 (223769-13-9)

Guidance literature:

In toluene; at 80 ℃; for 12h;

Reference yield:

[C6F4(B(C6F5)2)2(μ-Cl][CMe2Ph] (640270-80-0) → 1,2-C6F4(B(C(C6F5)2)2 (223769-13-9)

Guidance literature:

In dichloromethane-d2; byproducts: C9H6(CH3)3(C6H5), HCl; at temp. above -80°C;

DOI:10.1021/ja037725y

Reference yield:

o-C6F4(1,2,3,4,5,6,7,8-octafluoro-9-borafluorene)2 (784170-27-0) + 1,2-C6F4(B(C(C6F5)2)2*MeCN (874395-51-4) → 1,2-C6F4(B(C12F8))2*MeCN (874395-53-6) + 1,2-C6F4(B(C(C6F5)2)2 (223769-13-9)

Guidance literature:

In not given; NMR monitoring;

DOI:10.1021/om050764t

upstream raw materials:

1,2-C₆F₄(BBr₂)2

bis(pentafluorophenyl)zinc

[C6F4(B(C6F5)2)2(μ-Cl][CMe2Ph]

o-C₆F₄(1,2,3,4,5,6,7,8-octafluoro-9-borafluorene)2

Downstream raw materials:

1,2-C₆F₄(B(C(C₆F₅)2)2*MeCN

1,2-C₆F₄(B(C(C₆F₅)2)2*(MeCN)2*CH₂Cl₂

bis(pentafluorophenyl)boronic acid, methyl ester

bis(pentafluorophenyl)borinic acid