2,4-Difluorophenyl trifluoromethanesulfonate

Base Information

• Chemical Name: 2,4-Difluorophenyl trifluoromethanesulfonate
• CAS No.: 264135-49-1
• Molecular Formula: C₇H₃F₅O₃S
• Molecular Weight: 262.157
• Hs Code.: 2906299090
• European Community (EC) Number: 640-691-1
• DSSTox Substance ID: DTXSID90572802
• Nikkaji Number: J1.284.285F
• Wikidata: Q82461292
• Mol file: 264135-49-1.mol

Synonyms:2,4-difluorophenyl trifluoromethanesulfonate;264135-49-1;(2,4-difluorophenyl) trifluoromethanesulfonate;2,4-Difluorophenyl triflate;SCHEMBL779828;DTXSID90572802;HDPFJBUPWOYJFO-UHFFFAOYSA-N;AKOS025310326;2,4-difluorophenyltrifluoromethanesulfonate;2,4-Difluorophenyl trifluoromethanesulphonate;Methanesulfonic acid, 1,1,1-trifluoro-, 2,4-difluorophenyl ester

Chemical Property of 2,4-Difluorophenyl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 0.095mmHg at 25°C
• Refractive Index: 1.447
• Boiling Point: 231.428°C at 760 mmHg
• Flash Point: 93.764°C
• PSA: 51.75000
• Density: 1.646g/cm³
• LogP: 3.27400
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 261.97230594
• Heavy Atom Count: 16
• Complexity: 333

Purity/Quality:

95% ^*data from raw suppliers

2,4-DifluorophenylTrifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)OS(=O)(=O)C(F)(F)F

Technology Process of 2,4-Difluorophenyl trifluoromethanesulfonate

There total 1 articles about 2,4-Difluorophenyl trifluoromethanesulfonate 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: 92.0%

trifluoromethylsulfonic anhydride (358-23-6) + 2,4-difluorophenol (367-27-1) → 2,4-difluorophenyl trifluoromethanesulfonate (264135-49-1)

Guidance literature:

With triethylamine; In dichloromethane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.202113667

Reference yield:

C11H15ClZn + 2,4-difluorophenyl trifluoromethanesulfonate (264135-49-1) → 2,4-difluoro-1-(1-phenylpentyl)benzene + C17H18F2

Guidance literature:

With [Pd(μ-I)(Cy₂PtBu)]₂; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 20 ℃; for 0.166667h; regioselective reaction; Inert atmosphere;

DOI:10.1002/anie.202113667

upstream raw materials:

trifluoromethylsulfonic anhydride

2,4-difluorophenol

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