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2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate is a complex organic chemical compound characterized by the presence of fluorine and sulfur atoms within its molecular structure. With a molecular formula of C17H6F5S2O3, 2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate is likely in a salt form due to the trifluoromethanesulfonate group. Its unique structure and the incorporation of fluorine atoms suggest potential applications in various fields, such as organic synthesis, pharmaceuticals, and materials science, where fluorine can confer specific properties to the compound.

1961266-44-3

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1961266-44-3 Usage

Uses

Used in Organic Synthesis:
2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate is used as a synthetic intermediate for the preparation of various organic compounds. Its unique structure and the presence of fluorine atoms make it a valuable building block in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate is used as a potential active pharmaceutical ingredient or as a key intermediate in the synthesis of drug candidates. The incorporation of fluorine atoms can enhance the pharmacokinetic and pharmacodynamic properties of the resulting compounds, improving their efficacy and safety.
Used in Materials Science:
2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate is used as a component in the development of advanced materials with specific properties. The presence of fluorine atoms can impart unique characteristics to the materials, such as increased stability, enhanced electrical conductivity, or improved optical properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1961266-44-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,9,6,1,2,6 and 6 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1961266-44:
(9*1)+(8*9)+(7*6)+(6*1)+(5*2)+(4*6)+(3*6)+(2*4)+(1*4)=193
193 % 10 = 3
So 1961266-44-3 is a valid CAS Registry Number.

1961266-44-3Relevant academic research and scientific papers

A new version of Umemoto's reagents: A three-step one-pot preparation of 2,3,7,8-tetrafluoro-S-(trifluoromethyl)dibenzothiophenium triflate

Umemoto,Zhou, Xiaocong,Li, Yuanqiang

, (2019)

A new one-pot method was developed for the practical preparation of powerful electrophilic trifluoromethylating agent, 2,3,7,8-tetrafluoro-S-(trifluoromethyl)dibenzothiophenium triflate 2. This method comprised of three steps; (1) in situ generation of trifluoromethanesulfinyl trifluoroacetate 7, (2) treatment of 3,3′,4,4′-tetrafluorobiphenyl with 7 in the presence of trifluoromethanesulfonic acid and trifluoroacetic anhydride, and (3) treatment of the resulting mixture with hydrogen peroxide. By means of this effective three-step one-pot method, 2 was prepared in a good isolated yield by simple water-washing method. It is thus expected that easy access to 2 may lead to its wider or new applications to many areas, because tetrafluoro reagent 2 is much more powerful than 2,8-difluoro-S-(trifluoromethyl)dibenzothiophenium triflate 1.

Solid-State Radical C?H Trifluoromethylation Reactions Using Ball Milling and Piezoelectric Materials

Ito, Hajime,Kubota, Koji,Lee, Joo Won,Pang, Yadong

supporting information, p. 22570 - 22576 (2020/10/21)

The application of piezoelectricity for the generation of trifluoromethyl (CF3) radicals is reported together with the development of a method for the mechanochemical C?H trifluoromethylation of aromatic compounds. As compared to conventional solution-based approaches, this mechanoredox C?H trifluoromethylation enables cleaner and more sustainable access to a wide range of trifluoromethylated N-heterocycles and peptides, which are important structural motifs in modern drug discovery. This study thus represents an important milestone for future applications of mechanoredox systems to medicinal and pharmaceutical science.

A novel method for preparing S-(perfluoroalkyl)-dibenzothiophenium trifluoromethanesulfonate

-

Paragraph 0071-0074, (2018/04/01)

A method for preparing S-(perfluoroalkyl)-dibenzothiophenium trifluoromethanesulfonate shown as a general formula (I) by a one-pot process with significant effects is disclosed by the invention. The method includes reacting a biphenyl compound, perfluoroalkyl sulfonate, trifluoroacetic anhydride and trifluoromethanesulfonic acid. The biphenyl compound can be recovered and utilized so that the method is an environmentally friendly preparing method.

Powerful, Thermally Stable, One-Pot-Preparable, and Recyclable Electrophilic Trifluoromethylating Agents: 2,8-Difluoro- and 2,3,7,8-Tetrafluoro-S-(trifluoromethyl)dibenzothiophenium Salts

Umemoto, Teruo,Zhang, Bin,Zhu, Tianhao,Zhou, Xiaocong,Zhang, Peng,Hu, Song,Li, Yuanqiang

, p. 7708 - 7719 (2017/08/14)

Although many electrophilic trifluoromethylating agents have been reported to date, practically useful reagents have yet to be developed. S-(Trifluoromethyl)dibenzothiophenium salts, known as Umemoto's reagents, have two significant drawbacks that have ha

Industrial production method of 3,3'-difluorobiphenyl

-

, (2017/03/25)

The invention relates to a novel, safe, economical and environment-friendly production method of a useful chemical 3,3'-difluorobiphenyl. High-purity 3,3'-difluorobiphenyl can be prepared and obtained in a high-yield manner by making 3-fluorophenyl halogenated magnesium react with 1,2-dihalogenethane under the catalytic action of a trivalent ferric salt, and then treating a product by using an alkali or an acid. In addition, the method comprises a step of using and recycling an ethylene gas released in the reaction to prepare the initial raw material 1,2-dihalogenethane of the reaction, wherein the ethylene gas is a potential air pollutant.

HALOGENATED S-(PERFLUOROALKYL) DIBENZOTHIOPHENIUM SALT AND ITS PRODUCTION METHODS

-

, (2016/07/27)

Halogenated S-(perfluoroalkyl) dibenzothiophenium salt represented by the following general formula (I). This compound is a new, reactive, and industrially useful reagent for perfluoroalkylating organic compounds. The reagent can be prepared by a one-pot process or a two-step reaction process from a halogenated biphenyl and easily isolated by a filtration method. In addition, the halogenated biphenyl can be recovered by desulfurization from a halogenated dibenzothiophene obtained as a side-product by the usage of the reagent.

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