Bicyclo[2.2.1]hepta-2,5-diene, 1,2,3,4,5,6,7,7-octafluoro-

Base Information

• Chemical Name: Bicyclo[2.2.1]hepta-2,5-diene, 1,2,3,4,5,6,7,7-octafluoro-
• CAS No.: 40834-79-5
• Molecular Formula: C7F8
• Molecular Weight: 236.064
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID70379775
• Wikidata: Q82169734
• Mol file: 40834-79-5.mol

Synonyms:40834-79-5;Bicyclo[2.2.1]hepta-2,5-diene, 1,2,3,4,5,6,7,7-octafluoro-;1,2,3,4,5,6,7,7-octafluorobicyclo[2.2.1]hepta-2,5-diene;perfluorobicyclo[2.2.1]hepta-2,5-diene;DTXSID70379775;Perfluorobicyclo[2,2,1]hepta-2,5-diene;octafluorobicyclo[2.2.1]hepta-2,5-diene;OCTAFLUOROBICYCLO[2,2,1]HEPTA-2,5-DIENE;(1s,4s)-perfluorobicyclo[2.2.1]hepta-2,5-diene

Chemical Property of Bicyclo[2.2.1]hepta-2,5-diene, 1,2,3,4,5,6,7,7-octafluoro-

Chemical Property:

• Boiling Point: 70oC
• PSA: 0.00000
• LogP: 3.36670
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 235.98722530
• Heavy Atom Count: 15
• Complexity: 355

Purity/Quality:

98%min ^*data from raw suppliers

PERFLUOROBICYCLO[2,2,1]HEPTA-2,5-DIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C2(C(=C(C1(C2(F)F)F)F)F)F)F)F

Technology Process of Bicyclo[2.2.1]hepta-2,5-diene, 1,2,3,4,5,6,7,7-octafluoro-

There total 1 articles about Bicyclo[2.2.1]hepta-2,5-diene, 1,2,3,4,5,6,7,7-octafluoro- 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:

Hexafluoropropene oxide (428-59-1,25038-02-2) + cis-5,6-dichlorohexafluorocyclohexa-1,3-diene (123358-32-7) → Hexafluorobenzene (392-56-3) + 1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) + octafluoronorborna-2,5-diene (40834-79-5) + perfluorobicyclo<3.2.0>hepta-2,6-diene (88703-42-8)

Guidance literature:

With calcium carbonate; zinc; Yield given. Multistep reaction; 1.) 185-190 deg C, 2 h, 2.) diglyme, reflux, 30 min;

DOI:10.1021/jo00284a024

Reference yield: 71.0%

tetrakis(triphenylphosphine) palladium(0) (14221-01-3) + octafluoronorborna-2,5-diene (40834-79-5) → [Pd(P(C6H5)3)2(C7F8)] (82268-74-4)

Guidance literature:

In benzene; byproducts: PPh3; org. compd. added to suspn. of Pd complex in C6H6 under N2, mixture stirred at room temp. for 3 d; washing (EtOH), drying in vac.; elem. anal.;

DOI:10.1016/S0022-328X(00)83411-7

Reference yield: 68.0%

IrCl(CO)(PMePh2)2 (30669-24-0,15318-32-8) + octafluoronorborna-2,5-diene (40834-79-5) → [(C7F8)IrCl(CO)(PCH3(C6H5)2)2] (82268-76-6)

Guidance literature:

In benzene; soln. of org. compd. and Ir complex in C6H6 stirred at room temp. for 24 h under N2; removal of solvent, dissolving in CH2Cl2, addn. of MeOH; elem. anal.;

DOI:10.1016/S0022-328X(00)83411-7

upstream raw materials:

Hexafluoropropene oxide

cis-5,6-dichlorohexafluorocyclohexa-1,3-diene

Downstream raw materials:

Hexafluorobenzene

[(C₇F₈)IrCl(CO)(PCH₃(C₆H₅)2)2]

bis(triphenylphosphine)carbonyliridium(I) chloride

diiron nonacarbonyl

Refernces