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Benzene, 1-(methylthio)-2-(trifluoromethyl)-, also known as 2-(trifluoromethyl)-1-(methylthio)benzene or 2-trifluoromethyl-1-methylthiobenzene, is an organic compound with the chemical formula C8H7F3S. It is a derivative of benzene, featuring a methylthio group (-SCH3) at the 1-position and a trifluoromethyl group (-CF3) at the 2-position. Benzene, 1-(methylthio)-2-(trifluoromethyl)- is characterized by its aromatic structure, with the methylthio and trifluoromethyl substituents imparting unique chemical and physical properties. It is used in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its reactivity and stability. The compound is typically synthesized through reactions involving benzene and its derivatives, such as electrophilic substitution or nucleophilic substitution reactions.

322-58-7

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322-58-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 322-58-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,2 and 2 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 322-58:
(5*3)+(4*2)+(3*2)+(2*5)+(1*8)=47
47 % 10 = 7
So 322-58-7 is a valid CAS Registry Number.

322-58-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-methylsulfanyl-2-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 1-methylsulfanyl-2-trifluoromethyl-benzene

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:322-58-7 SDS

322-58-7Relevant academic research and scientific papers

Cathodic C-H Trifluoromethylation of Arenes and Heteroarenes Enabled by an in Situ-Generated Triflyltriethylammonium Complex

Cantillo, David,Jud, Wolfgang,Kappe, C. Oliver,Maljuric, Snjezana

supporting information, (2019/10/08)

While several trifluoromethylation reactions involving the electrochemical generation of CF3 radicals via anodic oxidation have been reported, the alternative cathodic, reductive radical generation has remained elusive. Herein, the first cathodic trifluoromethylation of arenes and heteroarenes is reported. The method is based on the electrochemical reduction of an unstable triflyltriethylammonium complex generated in situ from inexpensive triflyl chloride and triethylamine, which produces CF3 radicals that are trapped by the arenes on the cathode surface.

A visible-light photocatalytic thiolation of aryl, heteroaryl and vinyl iodides

Czyz,Weragoda,Monaghan,Connell,Brzozowski,Scully,Burton,Lupton,Polyzos

supporting information, p. 1543 - 1551 (2018/03/08)

The general catalytic synthesis of aryl and vinyl thioethers from readily available halides remains a challenge. Herein we report a unified method for the thiolation of aryl and vinyl iodides with dialkyl disulfides using visible light photoredox catalysis. A range of thioether products bearing diverse functional groups can be accessed in high yield and with excellent chemoselectivity. We demonstrate the versatility of this method through the expedient synthesis of a family of thioether-rich natural products. A detailed investigation of the photocatalytic mechanism is presented from both steady-state and time-resolved luminescent quenching as well as transient absorption spectroscopy experiments.

Lewis Acid–Base Interaction-Controlled ortho-Selective C?H Borylation of Aryl Sulfides

Li, Hong Liang,Kuninobu, Yoichiro,Kanai, Motomu

, p. 1495 - 1499 (2017/02/05)

An iridium/bipyridine-catalyzed ortho-selective C?H borylation of aryl sulfides was developed. High ortho-selectivity was achieved by a Lewis acid–base interaction between a boryl group of the ligand and a sulfur atom of the substrate. This is the first example of a catalytic and regioselective C?H transformation controlled by a Lewis acid–base interaction between a ligand and a substrate. The C?H borylation reaction could be conducted on a gram scale, and with a bioactive molecule as a substrate, demonstrating its applicability to late-stage regioselective C?H borylation. A bioactive molecule was synthesized from an ortho-borylated product by converting the boryl and methylthio groups of the product.

Organocatalytic visible light mediated synthesis of aryl sulfides

Majek, Michal,Von Wangelin, Axel Jacobi

supporting information, p. 5507 - 5509 (2013/06/27)

Photo-sensitized synthesis of arylsulfides from arenediazonium salts in the presence of eosin Y has been developed. This protocol exhibits high functional group tolerance and a wide substrate scope and is an attractive alternative to the thermal reaction that involves explosive intermediates.

Copper-catalyzed trifluoromethylation of aryl iodides with potassium (trifluoromethyl)trimethoxyborate

Knauber, Thomas,Arikan, Fatih,Roeschenthaler, Gerd-Volker,Goossen, Lukas J.

experimental part, p. 2689 - 2697 (2011/04/15)

Potassium (trifluoromethyl)trimethoxyborate is introduced as a new source of CF3 nucleophiles in copper-catalyzed trifluoromethylation reactions. The crystalline salt is stable on storage, easy to handle, and can be obtained in near-quantitative yields simply by mixing B(OMe)3, CF3SiMe3, and KF. The trifluoromethylation reagent allows the conversion of various aryl iodides into the corresponding benzotrifluorides in high yields under mild, base-free conditions in the presence of catalytic quantities of a CuI/1,10-phenanthroline complex.

Metallation reactions XXII. Regioselective metallation of (trifluoromethyl) (alkylthio) benzenes

Cabiddu,Cabiddu,Cadoni,Corrias,Fattuoni,Floris,Melis

, p. 125 - 140 (2007/10/03)

The metallation reactions of (trifluoromethyl)(alkylthio)benzenes with organolithium reagents and with the butyllithium/potassium tert-butoxide superbasic mixture are here described. The results, according to the theoretical calculations of energy minima, show the monometallation regiochemistry is directed by the sulphur atom. On the other side, the bimetallation, that can be performed only on methylthio derivatives, depends on the organometallic reagent employed. Using butyllithium the stronger coordinative power of sulphur prevails and products metallated in ortho and alpha positions to this atom are mainly formed. With the more basic sec-butyllithium and with the Superbase, because of mutual competition between the thioalkyl and trifluoromethyl groups, mixtures of products, coming from metallation in the ortho position to the trifluoromethyl group and in the alpha position of the thiomethylic group, are obtained. In addition, products coming from substitution ortho,alpha to the thiomethyl group are also formed. All mono- and bimetallated intermediates showed to be good synthons for the synthesis of fluoro- and (trifluoromethyl)-substituted benzothiophenes and (trifluoromethyl)benzenes substituted on the thioalkylic chain and/or on the ring.

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