Perfluorophenyl ethenesulfonate

Base Information

• Chemical Name: Perfluorophenyl ethenesulfonate
• CAS No.: 452905-58-7
• Molecular Formula: C8H3F5O3S
• Molecular Weight: 274.168
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID30377237
• Wikidata: Q82166383
• Mol file: 452905-58-7.mol

Synonyms:(2,3,4,5,6-pentafluorophenyl) ethenesulfonate;2,3,4,5,6-pentafluorophenyl 1-ethylenesulfonate;pentafluorophenyl vinylsulfonate;perfluorophenyl ethenesulfonate

Chemical Property of Perfluorophenyl ethenesulfonate

Chemical Property:

• Boiling Point: 74°/.06mm
• PSA: 51.75000
• LogP: 3.31500
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 273.97230594
• Heavy Atom Count: 17
• Complexity: 365

Purity/Quality:

97% ^*data from raw suppliers

2,3,4,5,6-Pentafluorophenyl 1-ethylenesulfonate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CS(=O)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Perfluorophenyl ethenesulfonate

There total 1 articles about Perfluorophenyl ethenesulfonate 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: 81.0%

2-Chloroethanesulfonyl chloride (1622-32-8) + 2,3,4,5,6-pentafluorophenol (771-61-9) → ethenesulfonic acid pentafluorophenyl ester (452905-58-7)

Guidance literature:

With triethylamine; In dichloromethane; at -78 - 21 ℃;

DOI:10.1039/b819235a

Reference yield: 95.0%

2-iodo-propane (75-30-9) + ethenesulfonic acid pentafluorophenyl ester (452905-58-7) → 3-methyl-butane-1-sulfonic acid pentafluorophenyl ester (452905-62-3)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; at 100 ℃;

DOI:10.1021/ol026181m

Reference yield: 87.0%

d,l-2-ethylhexanal (123-05-7) + ethenesulfonic acid pentafluorophenyl ester (452905-58-7) → 4-ethyl-3-oxo-octane-1-sulfonic acid pentafluorophenyl ester (1117975-56-0)

Guidance literature:

With water; dihydrogen peroxide; at 21 ℃; for 3h;

DOI:10.1039/b819235a

upstream raw materials:

2-Chloroethanesulfonyl chloride

2,3,4,5,6-pentafluorophenol

Downstream raw materials:

3-((3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b;4',5'-d]pyran-5-yl)-propane-1-sulfonic acid pentafluorophenyl ester

3-methyl-butane-1-sulfonic acid pentafluorophenyl ester