Ethenesulfonyl fluoride, 2-phenyl-

Base Information

• Chemical Name: Ethenesulfonyl fluoride, 2-phenyl-
• CAS No.: 405-18-5
• Molecular Formula: C8H7FO2S
• Molecular Weight: 186.207
• European Community (EC) Number: 850-499-1,809-364-2
• NSC Number: 85554
• DSSTox Substance ID: DTXSID50418292
• Nikkaji Number: J3.625.821G,J3.630.268B
• Wikidata: Q82228756
• ChEMBL ID: CHEMBL4475599
• Mol file: 405-18-5.mol

Synonyms:Ethenesulfonyl fluoride, 2-phenyl-;405-18-5;(E)-2-phenylethene-1-sulfonyl fluoride;(E)-2-phenylethenesulfonyl fluoride;1819971-27-1;2-phenylethene-1-sulfonyl fluoride;NSC85554;(E)-Styrylfluoro sulfone;SCHEMBL6722967;CHEMBL4475599;SCHEMBL24696002;DTXSID50418292;CCG-40560;NSC-85554;2-Phenylethenesulfonyl fluoride, 95%;AKOS037652492;(E)-2-phenylethene-1-sulfonylfluoride;ES-2195;2-Phenylethene-1-sulfonic acid fluoride;J3.625.821G;J3.630.268B;EN300-221090;EN300-1590309;Z1999520401

Chemical Property of Ethenesulfonyl fluoride, 2-phenyl-

Chemical Property:

• Vapor Pressure: 0.0042mmHg at 25°C
• Boiling Point: 287.8°C at 760 mmHg
• Flash Point: 127.9°C
• Density: 1.326g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.01507880
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

99% ^*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=CS(=O)(=O)F
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)F

Technology Process of Ethenesulfonyl fluoride, 2-phenyl-

There total 21 articles about Ethenesulfonyl fluoride, 2-phenyl- 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: 99.0%

(Z)-2-phenylethene-1-sulfonyl fluoride → trans-2-phenylethene-1-sulfonyl fluoride (405-18-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 0.5h; Temperature; Sealed tube;

DOI:10.1002/ejoc.201900799

Reference yield: 98.0%

trans 2-phenylethenesulfonyl chloride (52147-97-4) → trans-2-phenylethene-1-sulfonyl fluoride (405-18-5)

Guidance literature:

With potassium hydrogen difluoride; In water; acetonitrile; at 20 ℃; for 21h;

DOI:10.1055/s-0037-1610877

Reference yield: 95.0%

iodobenzene (591-50-4) + ethylenesulfonyl fluoride (677-25-8) → 2-phenylethenesulfonyl fluoride (405-18-5)

Guidance literature:

With palladium diacetate; silver trifluoroacetate; In acetone; at 60 ℃; for 12h;

upstream raw materials:

ethylenesulfonyl fluoride

phenylboronic acid

iodobenzene

β-styrenesulfonyl chloride

Downstream raw materials:

2-Phenylvinylsulfonsaeure-phenylester

Refernces

• 1、 -. "Preparation method of sulfuryl fluoride product". Paragraph 0040; 0041; 0042; 0043; 0044; 0045; 0046; 0047. . Retrieved 2021/09/26.
• 2、 -. "Fluorosulfonyl free radical reagent, and preparation method and application thereof". Paragraph 0107-0119. . Retrieved 2021/08/14.