2,3,4,5,7,7,8,8-Octafluorobicyclo[4.2.0]octa-1,3,5-triene

Base Information

• Chemical Name: 2,3,4,5,7,7,8,8-Octafluorobicyclo[4.2.0]octa-1,3,5-triene
• CAS No.: 52196-63-1
• Molecular Formula: C8F8
• Molecular Weight: 248.075
• DSSTox Substance ID: DTXSID90534329
• Nikkaji Number: J736.213G
• Wikidata: Q82408076
• Mol file: 52196-63-1.mol

Synonyms:52196-63-1;2,3,4,5,7,7,8,8-Octafluorobicyclo[4.2.0]octa-1,3,5-triene;perfluorobenzocyclobutene;perfluoro-benzocyclobutene;DTXSID90534329;NUIUUMOACKMRNW-UHFFFAOYSA-N

Chemical Property of 2,3,4,5,7,7,8,8-Octafluorobicyclo[4.2.0]octa-1,3,5-triene

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 247.98722530
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12=C(C(=C(C(=C1F)F)F)F)C(C2(F)F)(F)F

Technology Process of 2,3,4,5,7,7,8,8-Octafluorobicyclo[4.2.0]octa-1,3,5-triene

There total 1 articles about 2,3,4,5,7,7,8,8-Octafluorobicyclo[4.2.0]octa-1,3,5-triene 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:

perfluorobenzocyclobutenone (59514-38-4) → perfluorobenzocyclobutene (52196-63-1) + o-H-perfluoroethylbenzene (138947-19-0)

Guidance literature:

With hydrogen fluoride; antimony pentafluoride; at 95 ℃; for 15.5h; Title compound not separated from byproducts.;

DOI:10.1016/j.jfluchem.2006.08.006

Reference yield: 97.0%

Pentafluorobenzene (363-72-4) + perfluorobenzocyclobutene (52196-63-1) → 1-hydroxyperfluoro-1-phenylbenzocyclobutene (501668-46-8)

Guidance literature:

Pentafluorobenzene; perfluorobenzocyclobutene; With Hexafluorobenzene; antimony pentafluoride; at 23 ℃; for 4h;

With water; at 0 - 10 ℃;

DOI:10.1023/A:1020901526459

Reference yield: 92.5%

1,2,3,5-tetrafluorobenzene (2367-82-0) + perfluorobenzocyclobutene (52196-63-1) → 4,5,6,7-tetrafluoro-1,3-bis(2,3,4,6-tetrafluorophenyl)-2-benzofuran + (3,4,5,6-tetrafluorobenzene-1,2-diyl)bis[(2,3,4,6-tetrafluorophenyl)methanone]

Guidance literature:

1,2,3,5-tetrafluorobenzene; perfluorobenzocyclobutene; With antimony pentafluoride; at 50 - 55 ℃; for 30h;

With water;

DOI:10.1134/S1070428021080042

upstream raw materials:

perfluorobenzocyclobutenone

Downstream raw materials:

perfluoro[1-(2-ethylphenyl)-1,2-dihydrocyclobutabenzene]

perfluoro-2-ethyl-2'-methyldiphenylmethane

perfluoro(1-phenyl-1,2-dihydrocyclobutabenzene)

1-hydroxyperfluoro-1-phenylbenzocyclobutene

Refernces