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4-(Trifluoromethylthio)acetophenone is an organic compound characterized by the presence of a trifluoromethylthio group attached to an acetophenone moiety. This molecule is known for its unique chemical properties and potential applications in various fields.

713-67-7

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713-67-7 Usage

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Used in Pharmaceutical Industry:
4-(Trifluoromethylthio)acetophenone is used as a key intermediate in the synthesis of alpha-fluorochalcone derivatives, which are valuable for the development of drugs targeting PPAR receptor-related diseases. The trifluoromethylthio group in 4-(Trifluoromethylthio)acetophenone contributes to the enhanced biological activity and selectivity of the resulting alpha-fluorochalcone derivatives, making them promising candidates for the treatment of various disorders associated with PPAR receptors.

Check Digit Verification of cas no

The CAS Registry Mumber 713-67-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,1 and 3 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 713-67:
(5*7)+(4*1)+(3*3)+(2*6)+(1*7)=67
67 % 10 = 7
So 713-67-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H7F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3

713-67-7 Well-known Company Product Price

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  • Alfa Aesar

  • (H26605)  4'-(Trifluoromethylthio)acetophenone, 97%   

  • 713-67-7

  • 1g

  • 731.0CNY

  • Detail
  • Alfa Aesar

  • (H26605)  4'-(Trifluoromethylthio)acetophenone, 97%   

  • 713-67-7

  • 5g

  • 2254.0CNY

  • Detail

713-67-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[4-(trifluoromethylsulfanyl)phenyl]ethanone

1.2 Other means of identification

Product number -
Other names JRD-0364

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:713-67-7 SDS

713-67-7Relevant academic research and scientific papers

Transition-Metal-Free Synthesis of Aryl Trifluoromethyl Thioethers through Indirect Trifluoromethylthiolation of Sodium Arylsulfinate with TMSCF3

Zheng, Changge,Jiang, Chao,Huang, Shuai,Zhao, Kui,Fu, Yingying,Ma, Mingyu,Hong, Jianquan

supporting information, p. 6982 - 6986 (2021/09/08)

Herein, we report an indirect trifluoromethylthiolation of sodium arylsulfinates. This transition-metal-free reaction significantly provides an environmentally friendly and practical synthetic method for aryl trifluoromethyl thioethers using commercial Ruppert-Prakash reagent TMSCF3. This approach is also a potential alternative to the current industrial production method owing to facile substrates, excellent functional group compatibility, and operational simplicity.

Metal-Free Trifluoromethylthiolation of Arylazo Sulfones

Li, Ankun,Li, Yuxuan,Liu, Junjie,Chen, Jingqi,Lu, Kui,Qiu, Di,Fagnoni, Maurizio,Protti, Stefano,Zhao, Xia

, p. 1292 - 1299 (2021/01/14)

A visible-light-driven protocol for the synthesis of aryl trifluoromethyl thioethers under photocatalyst- and metal-free conditions has been pursued. The procedure exploits the peculiar properties of arylazo sulfones (having electron-rich or electron-poor substituents on the (hetero)aromatic ring) as photochemical precursors of aryl radicals and S-trifluoromethyl arylsulfonothioates as easy-to-handle trifluoromethylthiolating agents.

Synthetic method of aryltrifluoromethyl sulfide

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Paragraph 0045-0051, (2021/06/12)

The invention provides a synthesis method of an aryltrifluoromethyl sulfide compound, which comprises the following steps: mixing aryl halide, silver trifluoromethane mercaptide, a copper salt catalyst, a nitrogen-containing organic ligand and an organic solvent, and stirring at 20-120 DEG C to react for 1-60 hours, so that after the reaction is finished, the aryl trifluoromethyl thioether compound is generated. The method has the advantages of cheap and easily available raw materials, mild reaction conditions, good substrate universality, high yield, suitability for industrial application and the like.

A process for converting substituted phenyl diazonium salts into [(trifluoromethyl)thio]benzene

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Paragraph 0110-0117, (2019/12/02)

The invention discloses a synthetic method of [(trifluoromethyl)thio]benzene compounds, particularly a method for converting substituted phenyl diazonium salts into [(trifluoromethyl)thio]benzene. Themethod comprises the following steps: under white light

Copper(I)-promoted trifluoromethylthiolation of arenediazonium salts with AgSCF3

Zheng, Changge,Liu, Yang,Hong, Jianquan,Huang, Shuai,Zhang, Wei,Yang, Yupeng,Fang, Ge

supporting information, p. 1404 - 1407 (2019/05/01)

An efficient method for trifluoromethylthiolation of arenediazonium salts has been developed in mild conditions with a stable and convenient AgSCF3. It provides a straightforward and convenient way for the synthesis of trifluoromethylthiolated compound from diazonium salts in moderate to good yields.

Cu-mediated oxidative trifluoromethylthiolation of arylboronic acids with (bpy)CuSCF3

Zhao, Mingzhu,Zhao, Xiaoming,Zheng, Purui,Tian, Yawei

, p. 73 - 79 (2017/01/17)

An efficient trifluoromethylthiolation reaction of arylboronic acids with (bpy)CuSCF3in the presence of oxygen at room temperature is described. This method produces a variety of aryl trifluoromethylthioether derivatives in good to high yield. The mechanism of this trifluoromethylthiolation is discussed as well.

Nickel-catalyzed trifluoromethylthiolation of Csp2-O bonds

Dürr, Alexander B.,Yin, Guoyin,Kalvet, Indrek,Napoly, Fran?ois,Schoenebeck, Franziska

, p. 1076 - 1081 (2016/02/05)

While nickel catalysts have previously been shown to activate even the least reactive Csp2-O bonds, i.e. aryl ethers, in the context of C-C bond formation, little is known about the reactivity limits and molecular requirements for the introduction of valuable functional groups under homogeneous nickel catalysis. We identified that due to the high reactivity of Ni-catalysts, they are also prone to react with existing or installed functional groups, which ultimately causes catalyst deactivation. The scope of the Ni-catalyzed coupling protocol will therefore be dictated by the reactivity of the functional groups towards the catalyst. Herein, we showed that the application of computational tools allowed the identification of matching functional groups in terms of suitable leaving groups and tolerated functional groups. This allowed for the development of the first efficient protocol to trifluoromethylthiolate Csp2-O bonds, giving the mild and operationally simple C-SCF3 coupling of a range of aryl, vinyl triflates and nonaflates. The novel methodology was also applied to biologically active and pharmaceutical relevant targets, showcasing its robustness and wide applicability.

Sandmeyer-Type Trifluoromethylthiolation and Trifluoromethylselenolation of (Hetero)Aromatic Amines Catalyzed by Copper

Matheis, Christian,Wagner, Victoria,Goossen, Lukas J.

supporting information, p. 79 - 82 (2016/01/25)

Aromatic and heteroaromatic diazonium salts were efficiently converted into the corresponding trifluoromethylthio- or selenoethers by reaction with Me4NSCF3 or Me4NSeCF3, respectively, in the presence of catalytic amounts of copper thiocyanate. These Sandmeyer-type reactions proceed within one hour at room temperature, are applicable to a wide range of functionalized molecules, and can optionally be combined with the diazotizations into one-pot protocols.

Iron-Catalyzed Decarboxylation of Trifluoroacetate and Its Application to the Synthesis of Trifluoromethyl Thioethers

Exner, Benjamin,Bayarmagnai, Bilguun,Jia, Fan,Goossen, Lukas J.

supporting information, p. 17220 - 17223 (2016/01/25)

Nucleophilic CF3 has been generated by decarboxylation of potassium trifluoroacetate, arguably the most easy-to-handle, inexpensive, and sustainable source of trifluoromethyl groups. Simple iron(II) chloride catalyzes the decarboxylation as well as a subsequent trifluoromethylation of organothiocyanates, resulting in a straightforward synthesis of trifluoromethyl thioethers. The KCN byproduct is absorbed by iron(II) with formation of nontoxic potassium hexacyanoferrate. An analogous trifluoromethylation of aldehydes with trifluoroacetate underlines the synthetic potential of such iron-catalyzed decarboxylative trifluoromethylations.

Copper-Catalyzed Trifluoromethylthiolation of Di(hetero)aryl-λ3-iodanes: Mechanistic Insight and Application to Synthesis of (Hetero)Aryl Trifluoromethyl Sulfides

Saravanan, Perumal,Anbarasan, Pazhamalai

supporting information, p. 3521 - 3528 (2016/01/25)

The direct and regioselective copper/S-Phos-catalyzed trifluoromethylthiolation of symmetrical and unsymmetrical di(hetero)aryl-λ3-iodanes has been accomplished for the synthesis of various (hetero)aryl trifluoromethyl sulfides employing readily accessible silver trifluoromethylthiolate (AgSCF3) as nucleophilic trifluoromethylthiolating reagent. The developed transformation tolerates various functional groups like nitrile, enolizable ketone, ester, nitro and free carboxylic acid. Interestingly, the formal trifluoromethylthiolation of arenes was also achieved through integration of the synthesis of diaryl-λ3-iodanes from arenes with the trifluoromethylthiolation. Mechanistic investigations did not favor the radical formation and SET pathway. Based on the variable temperature 19F NMR spectroscopy, isolation of the most relevant catalytic intermediate, and stoichiometric studies supported the Cu(I)/Cu(III) catalytic cycle, wherein the oxidative addition of diaryl-λ3-iodanes was assisted by the silver salt.

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