Benzene, (heptadecafluorooctyl)-

Base Information

• Chemical Name: Benzene, (heptadecafluorooctyl)-
• CAS No.: 87405-83-2
• Molecular Formula: C14H5F17
• Molecular Weight: 496.167
• DSSTox Substance ID: DTXSID40447056
• Nikkaji Number: J452.910C
• Wikidata: Q82265829
• Mol file: 87405-83-2.mol

Synonyms:Benzene, (heptadecafluorooctyl)-;87405-83-2;(perfluorooctyl)benzene;Heptadecafluorooctylbenzene;(Heptadecafluorooctyl)benzene;SCHEMBL1421315;DTXSID40447056;CYLIQDNNFMKOLN-UHFFFAOYSA-N;MFCD26127269

Chemical Property of Benzene, (heptadecafluorooctyl)-

Chemical Property:

• PSA: 0.00000
• LogP: 7.15250
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 7
• Exact Mass: 496.0119789
• Heavy Atom Count: 31
• Complexity: 638

Purity/Quality:

98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, (heptadecafluorooctyl)-

There total 14 articles about Benzene, (heptadecafluorooctyl)- 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: 98.0%

iodobenzene (591-50-4) + 1-iodoheptadecafluorooctane (507-63-1) → (heptadecafluorooctyl)benzene (87405-83-2)

Guidance literature:

With copper; In dimethyl sulfoxide; at 120 ℃; for 22h;

DOI:10.1039/b516487g DOI:10.1002/ejoc.200700525

Reference yield: 79.0%

1-iodoheptadecafluorooctane (507-63-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (heptadecafluorooctyl)benzene (87405-83-2)

Guidance literature:

With platinum on carbon; caesium carbonate; at 100 ℃; for 15h; under 7500.75 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/anie.201411066

Reference yield: 54.0%

1-perfluorooctyl bromide (423-55-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (heptadecafluorooctyl)benzene (87405-83-2)

Guidance literature:

With platinum on carbon; caesium carbonate; at 100 ℃; for 40h; under 7500.75 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/anie.201411066

upstream raw materials:

iodobenzene

1-iodoheptadecafluorooctane

halon-1211

perfluorooctylcopper

Downstream raw materials:

m-perfluoro-n-octylbenzenesulfonyl chloride

C₂₂H₉F₁₇INO₂S

C₂₈H₂₁BF₁₇NO₄S

C₃₀H₁₅BrF₁₇NO₆S

Refernces

• 1、 He, Lin,Natte, Kishore,Rabeah, Jabor,Taeschler, Christoph,Neumann, Helfried,Brückner, Angelika,Beller, Matthias. "Heterogeneous platinum-catalyzed C-H perfluoroalkylation of arenes and heteroarenes". supporting information. p. 4320 - 4324. Retrieved 2015/04/14.
• 2、 Blom, Elisabeth,Karimi, Farhad,Langstroem, Bengt. "Use of perfluoro groups in nucleophilic 18F-fluorination". experimental part. p. 24 - 30. Retrieved 2010/04/24.