3996-39-2

Basic information

• Product Name: (3-BroMo-phenylsulfanyl)-acetic acid
• Synonyms: (3-BroMo-phenylsulfanyl)-acetic acid
• CAS NO: 3996-39-2
• Molecular Formula: C₈H₇BrO₂S
• Molecular Weight: 247.10898
• Mol File: 3996-39-2.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (3-BroMo-phenylsulfanyl)-acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (3-BroMo-phenylsulfanyl)-acetic acid(3996-39-2)
• EPA Substance Registry System: (3-BroMo-phenylsulfanyl)-acetic acid(3996-39-2)

Safety Data

• Hazardous Substances Data: 3996-39-2(Hazardous Substances Data)

Usage

Description

(3-Bromo-phenylsulfanyl)-acetic acid is a chemical compound with the molecular formula C8H7BrO2S. It is a derivative of phenylacetic acid, featuring a bromine and a sulfur atom attached to the phenyl ring. (3-BroMo-phenylsulfanyl)-acetic acid is known for its unique structural features and versatile reactivity, making it a valuable building block in organic synthesis.

Uses

Used in Pharmaceutical and Agrochemical Industries:
(3-Bromo-phenylsulfanyl)-acetic acid serves as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure allows for the development of new compounds with potential therapeutic and pesticidal properties.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, (3-Bromo-phenylsulfanyl)-acetic acid is utilized for the preparation of biologically active compounds. Its presence in the molecular structure can contribute to the creation of new drugs with antihypertensive and anti-inflammatory effects.
Used in Drug Discovery:
(3-Bromo-phenylsulfanyl)-acetic acid holds potential in drug discovery due to its unique structural features and versatile reactivity. Researchers and chemists are interested in exploring its potential biological activities, which could lead to the development of novel therapeutic agents.

Upstream product

• 6320-01-0 3-Bromothiophenol 
• 79-11-8 chloroacetic acid 

Downstream Products

• 19742-90-6 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene 
• 3996-51-8 m-bromophenylosulfinylacetic acid 
• 3937-93-7 m-bromophenylsulfonylacetic acid 
• 6320-01-0 3-Bromothiophenol 
• 14039-86-2 Bis-<3-brom-phenylsulfonyl> 
• 34896-80-5 1-bromo-3-methanesulphonylbenzene 
• 1388725-87-8 8-{[(3-bromophenyl)sulfanyl]methyl}caffeine 
• 138147-85-0 (E)-1-bromo-3-(phenylethenylsulfonyl)benzene 
• 6179-26-6 benzo[b]thiophene-6-carboxylic acid 
• 17347-32-9 6-bromobenzothiophene 
• 298-12-4 Glyoxilic acid 

Relevant articles and documents

Anthracene derivatives compounds and organic electroluminescent devices comprising the same

The present invention relates to a novel organic electroluminescent compound which is represented by the following [chemical formula 1] or [chemical formula 2]. The electroluminescent compound according to the present invention has high glass transition temperature, thereby having enhanced thermal stability; and can form an organic electroluminescent device having low driving voltage, high luminance, high color purity, and long-life when applying the same to the electroluminescent device.

Spectral and mechanistic investigation of Oxidative Decarboxylation of Phenylsulfinylacetic Acid by Cr(VI)

The oxidative decarboxylation of phenylsulfinylacetic acid (PSAA) by Cr(VI) in 20% acetonitrile - 80% water (v/v) medium follows overall second order kinetics, first order each with respect to [PSAA] and [Cr(VI)] at constant [H+] and ionic strength. The reaction is acid catalysed, the order with respect to [H+] is unity and the active oxidizing species is found to be HCrO3+. The reaction mechanism involves the rate determining nucleophilic attack of sulfur atom of PSAA on chromium of HCrO3+ forming a sulfonium ion intermediate. The intermediate then undergoes a,β-cleavage leading to the liberation of CO2. The product of the reaction is found to be methyl phenyl sulfone. The operation of substituent effect shows that PSAA containing electron-releasing groups in the meta- and para-positions accelerate the reaction rate while electron withdrawing groups retard the rate. An excellent correlation is found to exist between log k2 and Hammett s constants with a negative value of reaction constant. The p value decreases with increase in temperature evidencing the high reactivity and low selectivity in the case of substituted PSAAs.

KINETICS AND MECHANISM OF OXIDATION OF (ARYLTHIO)ACETIC ACIDS BY PYRIDINIUM HYDROBROMIDE PERBROMIDE

Oxidation of several monosubstituted (phenylthio)acetic acids (PTAA) by pyridinium hydrobromide perbromide (PHPB) was studied in aqueous acetic acid.The reaction is first order with respect to PHPB.Michaelis-Menten type kinetics are observed with respect to (arylthio)acetic acid.The effect of solvent composition indicates that the transition state is more polar than the reactants.The formation constants of the intermediate substrate-PHPB complexes and the rates of their decomposition were determined at different temperatures.The rates of oxidation of para and meta-substituted (phenylthio)acetic acids were correlated with Hammett's substituent constants.The ρ value is -1.60 at 35 deg c.The rates of oxidation of ortho substituted compounds are correlated with Charton's triparametric equation.A mechanism involving the decomposition of the intermediate complex in the slow rate-determining step affording a sulphonium ion which hydrolyses in a subsequent fast step to the sulphoxide is proposed.