3406-76-6

Basic information

• Product Name: (4-BROMO-PHENYLSULFANYL)-ACETIC ACID
• Synonyms: Acetic acid, [(4-bromophenyl)thio]-;Nsc67460
• CAS NO: 3406-76-6
• Molecular Formula: C₈H₇BrO₂S
• Molecular Weight: 247.11
• Mol File: 3406-76-6.mol
• Article Data: 25

Chemical Properties

• Boiling Point: 366.1°C at 760 mmHg
• Flash Point: 175.2°C
• Appearance: /
• Vapor Pressure: 5.29E-06mmHg at 25°C
• CAS DataBase Reference: (4-BROMO-PHENYLSULFANYL)-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-BROMO-PHENYLSULFANYL)-ACETIC ACID(3406-76-6)
• EPA Substance Registry System: (4-BROMO-PHENYLSULFANYL)-ACETIC ACID(3406-76-6)

Safety Data

• Hazardous Substances Data: 3406-76-6(Hazardous Substances Data)

Usage

Description

(4-BROMO-PHENYLSULFANYL)-ACETIC ACID is a chemical compound characterized by the molecular formula C8H7BrO2S. It is a derivative of acetic acid, featuring a bromo-phenylsulfanyl group attached to the carbon atom. (4-BROMO-PHENYLSULFANYL)-ACETIC ACID is known for its utility in the synthesis of a wide range of organic compounds and pharmaceuticals, as well as its role as an intermediate in the production of agrochemicals and other fine chemicals. The unique bromo-phenylsulfanyl group attached to the molecule enhances its reactivity and applicability in various chemical reactions and organic synthesis processes. However, it is crucial to handle this compound with care due to its potential harmful effects if mismanaged.

Uses

Used in Pharmaceutical Industry:
(4-BROMO-PHENYLSULFANYL)-ACETIC ACID is used as a key intermediate for the synthesis of various pharmaceuticals. Its unique structure allows for the creation of new drugs with potential therapeutic applications, contributing to the development of novel treatments for various medical conditions.
Used in Agrochemical Production:
In the agrochemical industry, (4-BROMO-PHENYLSULFANYL)-ACETIC ACID serves as an essential intermediate in the production of various agrochemicals. Its involvement in the synthesis process aids in the development of effective pesticides, herbicides, and other agricultural products that enhance crop protection and yield.
Used in Organic Synthesis:
(4-BROMO-PHENYLSULFANYL)-ACETIC ACID is utilized as a versatile building block in organic synthesis. Its bromo-phenylsulfanyl group enables it to participate in a range of chemical reactions, making it a valuable component in the creation of diverse organic compounds with various applications, including materials science, chemical research, and specialty chemicals.
Used in Fine Chemicals Production:
(4-BROMO-PHENYLSULFANYL)-ACETIC ACID is also used as an intermediate in the production of fine chemicals. Its unique properties and reactivity make it suitable for the synthesis of high-value specialty chemicals used in various industries, such as fragrances, dyes, and advanced materials.

InChI:InChI=1/C8H7BrO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/p-1

Upstream product

• 103-04-8 (phenylthio)acetic acid 
• 7605-25-6 ethyl phenylsulfenylacetate 
• 71-43-2 benzene 
• 3959-08-8 (phenylsulfinyl)acetic acid 
• 106-53-6 para-bromobenzenethiol 
• 79-11-8 chloroacetic acid 
• 79-08-3 bromoacetic acid 
• 107-59-5 tert-Butyl chloroacetate 
• 15909-42-9 2-(4-bromo-phenylsulfanyl)-N-methoxy-acetamide 
• 68-11-1 mercaptoacetic acid 
• 147227-33-6 1-(4-bromophenyl)-2-(pyrrolidin-1-yl)diazene 
• 10035-10-6 hydrogen bromide 
• 56-23-5 tetrachloromethane 
• 7726-95-6 bromine 

Downstream Products

• 90111-06-1 2-bromo-2-(4-bromophenylthio)acetic acid 
• 50397-69-8 (4-bromo-phenylsulfanyl)-acetic acid methyl ester 
• 87298-90-6 (4-Bromo-phenylsulfanyl)-acetic acid; compound with 2-[bis-(2-hydroxy-ethyl)-amino]-ethanol 
• 104-95-0 (4-bromophenyl)thioanisole 
• 3406-73-3 (4-bromo-benzenesulfonyl)-acetic acid 
• 3996-48-3 p-bromophenylsulfinylacetic acid 
• 51957-76-7 3-[1-(4-Bromo-phenylsulfanyl)-meth-(E)-ylidene]-3H-isobenzofuran-1-one 
• 34279-33-9 3-[1-(4-Bromo-phenylsulfanyl)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one 
• 1009373-02-7 2-(4-bromo-phenylsulfanyl)-N-trityloxy-acetamide 
• 1388725-93-6 8-{[(4-bromophenyl)sulfanyl]methyl}caffeine 
• 250736-42-6 5-bromobenzo[b]thiophen-3(2H)-one 1,1-dioxide 
• 530080-20-7 1-bromo-4-[(fluoromethyl)sulfanyl]benzene 
• 101032-25-1 5,5'-dinitro-N,N'-ethylenebis(salicylideneaminato) manganese(III)(hexafluorophosphate) 
• 101032-21-7 5,5'-dimethoxy-N,N'-ethylenebis(salicylideneaminato) manganese(III)(hexafluorophosphate) 

Relevant articles and documents

Thioether compound, preparation method thereof, medical intermediate and application thereof

The invention relates to the technical field of chemical synthesis, and particularly discloses a thioether compound, a preparation method of the thioether compound, a medical intermediate and application of the medical intermediate, and the thioether compound is prepared from the following raw materials: a sulfoxide compound, a bromide and 1-butyl-3-methylimidazole trifluoromethanesulfonate. The thioether compound provided by the invention is reacted in ionic liquid 1-butyl-3-methylimidazole trifluoromethanesulfonate, a metal catalytic reaction is not needed, the problems of metal residues, organic solvent pollution and the like are fundamentally eliminated, and the thioether compound is particularly suitable for synthesis of some medicines and has relatively high economic applicability. The preparation method provided by the invention has the advantages of simple operation, high yield, high product purity, no need of metal catalysis in the whole reaction, mild reaction conditions andwide substrate range, solves the problem of easy generation of metal residues in the synthesized product due to use of transition metals for catalytic reaction in synthesis of thioether compounds in the prior art, and has a wide market prospect.

Sulfoxide Reduction/C(sp3)-S Metathesis Cascade in Ionic Liquid

A sulfoxide reduction/C-S bond metathesis cascade between sulfoxides and alkyl bromides has been developed to access high-value sulfides without the use of any catalysts or bases. In this cascade, classical Kornblum oxidation is employed to reduce sulfoxides with alkyl bromides in ionic liquid. This protocol features high functional tolerance, mild conditions, promising scalability, and sustainable solvents.

Nucleophilic (Radio)Fluorination of Redox-Active Esters via Radical-Polar Crossover Enabled by Photoredox Catalysis

We report a redox-neutral method for nucleophilic fluorination of N-hydroxyphthalimide esters using an Ir photocatalyst under visible light irradiation. The method provides access to a broad range of aliphatic fluorides, including primary, secondary, and tertiary benzylic fluorides as well as unactivated tertiary fluorides, that are typically inaccessible by nucleophilic fluorination due to competing elimination. In addition, we show that the decarboxylative fluorination conditions are readily adapted to radiofluorination with [18F]KF. We propose that the reactions proceed by two electron transfers between the Ir catalyst and redox-active ester substrate to afford a carbocation intermediate that undergoes subsequent trapping by fluoride. Examples of trapping with O- and C-centered nucleophiles and deoxyfluorination via N-hydroxyphthalimidoyl oxalates are also presented, suggesting that this approach may offer a general blueprint for affecting redox-neutral SN1 substitutions under mild conditions.