3996-32-5

Basic information

• Product Name: 3-Methoxy-phenylthioaceticacid
• Synonyms: 3-Methoxy-phenylthioaceticacid;2-(m-Methoxyphenylthio)acetic acid;S-(3-Methoxyphenyl)thioglycollic acid;2-[(3-METHOXYPHENYL)SULFANYL]ACETICACID
• CAS NO: 3996-32-5
• Molecular Formula: C₉H₁₀O₃S
• Molecular Weight: 182.2395
• Mol File: 3996-32-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 351.4°C at 760 mmHg
• Flash Point: 166.3°C
• Appearance: /
• Density: 1.28g/cm³
• Vapor Pressure: 1.53E-05mmHg at 25°C
• Refractive Index: 1.59
• CAS DataBase Reference: 3-Methoxy-phenylthioaceticacid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methoxy-phenylthioaceticacid(3996-32-5)
• EPA Substance Registry System: 3-Methoxy-phenylthioaceticacid(3996-32-5)

Safety Data

• Hazardous Substances Data: 3996-32-5(Hazardous Substances Data)

Usage

General Description

3-Methoxy-phenylthioacetic acid is a chemical compound with the formula C9H10O3S. It is a thioether carboxylic acid with a methoxy group attached to the phenyl ring. 3-Methoxy-phenylthioaceticacid is often used in organic synthesis and medicinal chemistry as a building block for the production of various pharmaceuticals and agrochemicals. It also has potential biological activities, including antifungal and antimicrobial properties. Additionally, 3-methoxy-phenylthioacetic acid may have applications in the development of new materials and technologies due to its unique chemical structure and properties.

InChI:InChI=1/C9H10O3S/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Upstream product

• 15570-12-4 3-methoxybenzenethiol 
• 79-11-8 chloroacetic acid 
• 124-38-9 carbon dioxide 
• 2388-74-1 1-methoxy-3-methylsulfanyl-benzene 
• 3926-62-3 sodium monochloroacetic acid 
• 141819-38-7 ethyl 2-[(3-methoxyphenyl)thio]acetate 

Downstream Products

• 79128-29-3 methyl 2-((3-methoxyphenyl)thio)acetate 
• 59014-89-0 bis(3-methoxyphenyl)disulfide 
• 15570-12-4 3-methoxybenzenethiol 
• 298-12-4 Glyoxilic acid 
• 3938-00-9 3-Methoxy-phenylsulfonylessigsaeure 
• 889664-80-6 (3-Methoxy-phenylsulfanyl)-acetyl chloride 
• 859392-97-5 {2-[4-(7-methoxy-benzo[4,5]thieno[3,2-b]indol-10-ylmethyl)-phenoxy]-ethyl}-dimethyl-amine 
• 859393-01-4 diethyl-{2-[4-(7-methoxy-benzo[4,5]thieno[3,2-b]indol-10-ylmethyl)-phenoxy]-ethyl}-amine 
• 859392-99-7 {2-[4-(3,7-dimethoxy-benzo[4,5]thieno[3,2-b]indol-10-ylmethyl)-phenoxy]-ethyl}-dimethyl-amine 
• 859392-89-5 7-methoxy-10-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole 
• 859393-05-8 7-methoxy-10-[4-(2-morpholin-4-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole 
• 859393-03-6 {2-[4-(3,7-dimethoxy-benzo[4,5]thieno[3,2-b]indol-10-ylmethyl)-phenoxy]-ethyl}-diethyl-amine 
• 859392-85-1 7-methoxy-10-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole 
• 859392-91-9 3,7-dimethoxy-10-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole 

Relevant articles and documents

Preparation method of selective estrogen receptor degradation agent and intermediate thereof

The invention relates to a benzothiophene-based selective estrogen receptor degradation agent (LSZ-102) and a preparation method of an intermediate thereof t. The preparation method of the LSZ-102 comprises the following steps: a, performing substitution

Inhibition of monoamine oxidase by 8-phenoxymethylcaffeine derivatives

A recent study has reported that a series of 8-benzyloxycaffeines are potent and reversible inhibitors of both human monoamine oxidase (MAO) isoforms, MAO-A and -B. In an attempt to discover additional caffeine derivatives with potent MAO inhibitory activities, and to contribute to the known structure-activity relationships of MAO inhibition by caffeine derived compounds, the present study investigates the MAO inhibitory potencies of series of 8-phenoxymethylcaffeine and 8-[(phenylsulfanyl)methyl]caffeine derivatives. The results document that the 8-phenoxymethylcaffeine derivatives act as potent reversible inhibitors of MAO-B, with IC50 values ranging from 0.148 to 5.78 μM. In contrast, the 8-[(phenylsulfanyl)methyl]caffeine derivatives were found to be weak inhibitors of MAO-B, with IC50 values ranging from 4.05 to 124 μM. Neither the 8-phenoxymethylcaffeine nor the 8-[(phenylsulfanyl)methyl]caffeine derivatives exhibited high binding affinities for MAO-A. While less potent than the 8-benzyloxycaffeines as MAO-B inhibitors, this study concludes that 8-phenoxymethylcaffeines may act as useful leads for the design of MAO-B selective inhibitors. Such compounds may find application in the therapy of neurodegenerative disorders such as Parkinson's disease. Using molecular docking experiments, this study also proposes possible binding orientations of selected caffeine derivatives in the active sites of MAO-A and -B.

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.