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4-Trifluoromethylthio-benzoic acid ethyl ester is an organic compound with the chemical formula C10H9F3OS. It is a colorless liquid at room temperature and is derived from the esterification of 4-trifluoromethylthio-benzoic acid with ethanol. 4-TRIFLUOROMETHYLTHIO-BENZOIC ACID ETHYL ESTER is characterized by the presence of a trifluoromethylthio group (-SCH2CF3) attached to the benzene ring, which imparts unique chemical properties. It is used in the synthesis of various pharmaceuticals and agrochemicals due to its potential to modulate biological activity. The compound is also known for its potential applications in materials science, particularly in the development of new polymers and coatings. Its synthesis involves careful control of reaction conditions to ensure the formation of the desired product, and it is typically handled in a laboratory setting due to its reactivity and potential hazards.

587-19-9

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587-19-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 587-19-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,8 and 7 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 587-19:
(5*5)+(4*8)+(3*7)+(2*1)+(1*9)=89
89 % 10 = 9
So 587-19-9 is a valid CAS Registry Number.

587-19-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-trifluoromethylsulfanyl-benzoic acid ethyl ester

1.2 Other means of identification

Product number -
Other names 4-Trifluormethylmercapto-benzoesaeure-aethylester

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:587-19-9 SDS

587-19-9Downstream Products

587-19-9Relevant 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.

Visible-Light-Mediated Synthesis of Trifluoromethylthiolated Arenes

Ghiazza, Clément,Monnereau, Cyrille,Khrouz, Lhoussain,Billard, Thierry,Tlili, Anis

supporting information, p. 2865 - 2870 (2019/07/09)

The visible-light-mediated synthesis of trifluoromethylthiolated arenes in the presence of ruthenium-based photocatayst under mild reaction conditions is reported. The trifluoromethylthiolated arenes are obtained using the shelf-stable reagent trifluoromethyl toluenethiosulfonate at room temperature. The reaction proceeds selectively and does not require the presence of any additive. A mechanism is proposed based on the obtained results of EPR as well as luminescence.

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

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

, 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.

Triphenylphosphine-Mediated Deoxygenative Reduction of CF3SO2Na and Its Application for Trifluoromethylthiolation of Aryl Iodides

Yang, Yi,Xu, Long,Yu, Siqi,Liu, Xiaoqiang,Zhang, Yu,Vicic, David A.

supporting information, p. 858 - 863 (2016/01/16)

We report herein a practical method for taming Langlois' reagent CF3SO2Na to generate CuSCF3 by a triphenylphospine-mediated deoxygenative reduction process. This chemistry highlights a novel utilization of the inherent CF3S skeleton of Langlois' reagent as a CF3S feedstock under mild conditions. The CuSCF3 intermediate generated by this protocol can react with a wide array of supporting ligands to furnish several air-stable [LCu(SCF3)] complexes as valuable trifluoromethylthiolating agents. In addition, the CuSCF3 intermediate can be directly employed for the trifluoromethylthiolation of (hetero)aryl iodides with operational simplicity and atomic efficiency. Efficient synthesis! A low cost method for the generation of CuSCF3 by a triphenylphospine-mediated deoxygenative reduction of Langlois' reagent (CF3SO2Na) has been developed (see scheme). This method can be applied for the convenient synthesis of a wide array of ligated and air-stable CuSCF3 complexes. Additionally, the CuSCF3 complexes generated in situ by this protocol were found to trifluoromethylthiolate (hetero)aryl iodides with high efficiency.

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.

Nickel-catalyzed synthesis of aryl trifluoromethyl sulfides at room temperature

Zhang, Cheng-Pan,Vicic, David A.

supporting information; experimental part, p. 183 - 185 (2012/03/07)

Inexpensive nickel-bipyridine complexes were found to be active for the trifluoromethylthiolation of aryl iodides and aryl bromides at room temperature using the convenient [NMe4][SCF3] reagent.

Process for preparing aryl trifluoromethylsulfides

-

, (2008/06/13)

Trifluoromethylthiocopper, formed in situ by the reaction of bis-(trifluoromethylthio)mercury with copper, reacts with aromatic bromides and iodides to give aryl trifluoromethyl sulfides.

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