Methanesulfonothioic acid, trifluoro-, S-phenyl ester

Base Information

• Chemical Name: Methanesulfonothioic acid, trifluoro-, S-phenyl ester
• CAS No.: 60933-15-5
• Molecular Formula: C7H5F3O2S2
• Molecular Weight: 242.243
• DSSTox Substance ID: DTXSID20441794
• Nikkaji Number: J784.491C
• Wikidata: Q82258739
• Mol file: 60933-15-5.mol

Synonyms:60933-15-5;Methanesulfonothioic acid, trifluoro-, S-phenyl ester;DTXSID20441794;Trifluoromethanethiosulfonic acid S-phenyl ester

Chemical Property of Methanesulfonothioic acid, trifluoro-, S-phenyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 241.96830623
• Heavy Atom Count: 14
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methanesulfonothioic acid, trifluoro-, S-phenyl ester

There total 4 articles about Methanesulfonothioic acid, trifluoro-, S-phenyl ester 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: 87.0%

Langlois reagent (2926-29-6) + diphenyldisulfane (882-33-7) → phenyl trifluoromethanethiosulfonate (60933-15-5)

Guidance literature:

With bis-[(trifluoroacetoxy)iodo]benzene; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1016/S0022-1139(97)00009-2

Reference yield: 84.0%

Langlois reagent (2926-29-6) + benzenesulfenyl chloride (931-59-9) → phenyl trifluoromethanethiosulfonate (60933-15-5)

Guidance literature:

In dichloromethane; for 0.25h; Ambient temperature;

DOI:10.1021/jo960619c

Reference yield: 37.0%

trifluoromethylsulfonic anhydride (358-23-6) + thiophenol (108-98-5) → phenyl trifluoromethanethiosulfonate (60933-15-5)

Guidance literature:

With pyridine; O,O-diethyl benzylphosphonate; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1002/anie.201802082

upstream raw materials:

Langlois reagent

diphenyldisulfane

benzenesulfenyl chloride

thiophenol

Downstream raw materials:

phenyl trifluoromethylsulfide

1-(trifluoromethanesulfonyl)-1-cyclohexene

trifluoromethylcyclohexane

1,1,1-trifluoro-dodecane

Refernces

• 1、 Billard, Thierry,Langlois, Bernard R.. "A new synthesis of thioesters and selenoesters of triflic acid under oxidative conditions". . p. 63 - 64. Retrieved 2007/10/03.