Trifluoromethanesulfonic acid difluoromethyl ester

Base Information

• Chemical Name: Trifluoromethanesulfonic acid difluoromethyl ester
• CAS No.: 1885-46-7
• Molecular Formula: C2HF5O3S
• Molecular Weight: 200.086
• Hs Code.: 2905190098
• Mol file: 1885-46-7.mol

Synonyms:Difluoromethyl triflate;Difluoromethyl trifluoromethanesulfonate;Trifluoromethanesulfonic acid difluoromethyl ester;Difluoromethyl triflate 95%

Chemical Property of Trifluoromethanesulfonic acid difluoromethyl ester

Chemical Property:

• Boiling Point: 48.5-49 °C
• Flash Point: 57℃
• PSA: 51.75000
• Density: 1.584 g/mL at 25 °C
• LogP: 2.15600
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

Difluoromethyltrifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Difluoromethyl triflate (TfO-CHF2) can be used as a reagent: In difluoromethylation reaction. To prepare difluoromethoxylated heterocycles by reacting with hydroxylated N-based heterocycles. To synthesize trifluoromethylated arenes by treating with diaryliodonium salts in the presence of copper and tetrabutylammonium difluorotriphenylsilicate (TBAT).It allows for a simple method toward the preparation of difluoromethyl ethers and thioethers under basic conditions from alcohols and thiols. Difluoromethyl phenols can also be obtained in a single pot from boronic acids and C-H activation of arenes.

Technology Process of Trifluoromethanesulfonic acid difluoromethyl ester

There total 7 articles about Trifluoromethanesulfonic acid difluoromethyl 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%

2-(difluoromethylsulfinyl)biphenyl (942128-14-5) + trifluoromethylsulfonic anhydride (358-23-6) → dibenzothiophene (132-65-0) + trifluoromethanesulfonic acid difluoromethyl ether (1885-46-7)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ol070195g

Reference yield: 83.0%

trifluorormethanesulfonic acid (1493-13-6) + (trifluoromethyl)trimethylsilane (81290-20-2) → trimethylsilyl fluoride (420-56-4) + trifluoromethanesulfonic acid difluoromethyl ether (1885-46-7)

Guidance literature:

With titanium tetrachloride; at -20 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.jfluchem.2009.05.003

Reference yield: 78.0%

trifluorormethanesulfonic acid (1493-13-6) + trimethyl(difluoromethyl)silane (65864-64-4) → trifluoromethanesulfonic acid difluoromethyl ether (1885-46-7)

Guidance literature:

trifluorormethanesulfonic acid; With titanium tetrachloride; at 20 ℃; for 0.0833333h; Inert atmosphere;

trimethyl(difluoromethyl)silane; at -20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c03328

upstream raw materials:

trifluorormethanesulfonic acid

3,3-difluoro-3H-diazirine

2,2-difluoro-2-(fluorosulfonyl)acetic acid

sodium triflate

Downstream raw materials:

1-(4-trifluoromethylphenyl)ethanone

3'-(trifluoromethyl)acetophenone

4-CF₃C₆H₄CN

1,4-bis(trifluoromethyl)benzene

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