15223-20-8

Basic information

• Product Name: 4-Methylbenzene-1-thiosulfonic acid S-trifluoromethyl ester
• Synonyms: 4-Methylbenzene-1-thiosulfonic acid S-trifluoromethyl ester
• CAS NO: 15223-20-8
• Molecular Formula: C₈H₇F₃O₂S₂
• Molecular Weight: 256.2652
• Mol File: 15223-20-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 247.6°Cat760mmHg
• Flash Point: 103.6°C
• Appearance: /
• Density: 1.44g/cm³
• Vapor Pressure: 0.0399mmHg at 25°C
• Refractive Index: 1.51
• CAS DataBase Reference: 4-Methylbenzene-1-thiosulfonic acid S-trifluoromethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methylbenzene-1-thiosulfonic acid S-trifluoromethyl ester(15223-20-8)
• EPA Substance Registry System: 4-Methylbenzene-1-thiosulfonic acid S-trifluoromethyl ester(15223-20-8)

Safety Data

• Hazardous Substances Data: 15223-20-8(Hazardous Substances Data)

Usage

General Description

4-Methylbenzene-1-thiosulfonic acid S-trifluoromethyl ester, also known as MBS-trifluoromethyl ester, is a chemical compound with the molecular formula C8H7F3O3S2. It is used as a reagent for the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. The trifluoromethyl group in the ester provides increased stability and lipophilicity, making it a valuable tool in medicinal chemistry research. The compound is also utilized as a photoinitiator in the polymerization of light-sensitive materials. Additionally, it can act as a crosslinking agent in the production of plastics and coatings. Due to its potential applications in various industries, 4-Methylbenzene-1-thiosulfonic acid S-trifluoromethyl ester is of interest to researchers and manufacturers.

InChI:InChI=1/C8H7F3O2S2/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3

Upstream product

• 421-17-0 Trifluoromethylsulfenyl chloride 
• 1045821-71-3 N-[(trifluoromethyl)sulfanyl]aniline 
• 824-79-3 sodium 4-methylbenzenesulfinate 
• 98-59-9 p-toluenesulfonyl chloride 
• 1045822-03-4 4-methyl-N-[(trifluoromethyl)sulfanyl]benzene-1-sulfonamide 

Downstream Products

• 78914-94-0 4-methoxyphenyl trifluoromethylsulfide 
• 75168-99-9 1-methoxy-2-[(trifluoromethyl)sulfanyl]benzene 
• 461-84-7 (4-trifluoromethylthio)phenol 
• 332-26-3 4-[(trifluoromethyl)sulphanyl]benzenecarbonitrile 
• 587-19-9 ethyl 4-[(trifluoromethyl)sulfanyl]benzoate 
• 940-76-1 (4-fluorophenyl)(trifluoromethyl)thioether 
• 372-15-6 1-iodo-4-(trifluoromethylsulfanyl)benzene 
• 352-68-1 4-trifluoromethylthiotoluene 

Relevant articles and documents

Visible-Light-Mediated Synthesis of Trifluoromethylthiolated Arenes

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.

Remote trifluoromethylthiolation of alcohols under visible light

An unprecedented remote and regioselective trifluoromethylthiolation reaction of alcohols was developed. Under mild conditions, a panel of free-alcohols was selectively functionalized with TolSO2SCF3 reagent as the SCF3 source in the presence of hypervalent iodide (PIDA) under blue light irradiation. This approach offered an operationally simple tool for the construction of a challenging C(sp3)-SCF3 bond at the δ-position of an alcohol by C(sp3)-H bond functionalization. Initial mechanistic studies suggested a radical pathway.