[(Phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane

Base Information

• Chemical Name: [(Phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane
• CAS No.: 836-97-5
• Molecular Formula: C8H7F3O4S2
• Molecular Weight: 288.268
• DSSTox Substance ID: DTXSID70445500
• Nikkaji Number: J944.640K
• Wikidata: Q82263933
• ChEMBL ID: CHEMBL12230
• Mol file: 836-97-5.mol

Synonyms:836-97-5;[(phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane;CHEMBL12230;SCHEMBL8764400;DTXSID70445500;HZBBPSJRNNEGSN-UHFFFAOYSA-N;[(Trifluoromethanesulfonyl)methanesulfonyl]benzene;[[[(Trifluoromethyl)sulfonyl]methyl]sulfonyl]benzene

Chemical Property of [(Phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 287.97378553
• Heavy Atom Count: 17
• Complexity: 447

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [(Phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane

There total 5 articles about [(Phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane 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: 91.0%

(phenylthio)[(trifluoromethyl)sulfonyl]methane (60595-15-5) → [(phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane (836-97-5)

Guidance literature:

With dihydrogen peroxide; acetic anhydride; In acetic acid;

DOI:10.1016/S0040-4039(00)77705-7

Reference yield:

phenylthiomethyl chloride (7205-91-6) → [(phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane (836-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / 18 h / Heating

2: AcOH, 30percent aq. H₂O₂ / 1 h / 75 °C

With dihydrogen peroxide; acetic acid; In acetonitrile;

DOI:10.1021/jm970678y

Reference yield:

thiophenol (108-98-5) → [(phenyl)sulfonyl][(trifluoromethyl)sulfonyl]methane (836-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOEt / ethanol

2: CrO₃, AcOH

With chromium(VI) oxide; sodium ethanolate; acetic acid; In ethanol;

upstream raw materials:

trifluoromethylsulfonic anhydride

methylphenylsulfonate

(phenylthio)[(trifluoromethyl)sulfonyl]methane

phenylthiomethyl chloride

Downstream raw materials:

(1S,2S)-4-Benzenesulfonyl-4-trifluoromethanesulfonyl-cyclopentane-1,2-diol

phenyl 2-propenyl sulfone

(1-Trifluoromethanesulfonyl-ethanesulfonyl)-benzene

(2-Trifluoromethanesulfonyl-propane-2-sulfonyl)-benzene