50397-64-3

Basic information

• Product Name: METHYL P-TOLUENESULPHONYLACETATE
• Synonyms: BUTTPARK 62\04-22;METHYL P-TOLUENESULFONYLACETATE;METHYL P-TOLUENESULPHONYLACETATE;METHYL 2-[(4-METHYLPHENYL)SULFONYL]ACETATE;p-Toluenesulphonylacetic acid methyl ester;p-Toluenesulfonylaceticacidmethylester;Methyl p-toluenesulfonylacetate, 98+%;(p-Tolylsulfonyl)acetic acid methyl ester
• CAS NO: 50397-64-3
• Molecular Formula: C₁₀H₁₂O₄S
• Molecular Weight: 228.26
• Mol File: 50397-64-3.mol
• Article Data: 15

Chemical Properties

• Melting Point: 160 °C
• Boiling Point: 383.3°C at 760 mmHg
• Flash Point: 185.6°C
• Appearance: /
• Density: 1.24
• Vapor Pressure: 4.43E-06mmHg at 25°C
• Refractive Index: 1.5350
• BRN: 2112364
• CAS DataBase Reference: METHYL P-TOLUENESULPHONYLACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL P-TOLUENESULPHONYLACETATE(50397-64-3)
• EPA Substance Registry System: METHYL P-TOLUENESULPHONYLACETATE(50397-64-3)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 50397-64-3(Hazardous Substances Data)

Usage

General Description

Methyl p-toluenesulphonylacetate is a chemical compound with the molecular formula C10H12O4S. It is an ester derivative of p-toluenesulfonic acid and acetic acid. METHYL P-TOLUENESULPHONYLACETATE is commonly used as a reagent in organic synthesis for the preparation of pharmaceuticals and agrochemicals. It is also used as a solvent in various chemical processes, and as a precursor for the synthesis of other organic compounds. Methyl p-toluenesulphonylacetate has been reported to exhibit antimicrobial and antioxidant properties, and is therefore of interest for potential use in the development of new pharmaceuticals and functional materials.

InChI:InChI=1/C10H12O4S/c1-8-3-5-9(6-4-8)15(12,13)7-10(11)14-2/h3-6H,7H2,1-2H3

Upstream product

• 96-34-4 methyl chloroacetate 
• 824-79-3 sodium 4-methylbenzenesulfinate 
• 50397-67-6 methyl 2-(p-tolylthio)acetate 
• 96-32-2 bromoacetic acid methyl ester 
• 67-56-1 methanol 
• 158752-57-9 1-(2,2-Bis-ethylsulfanyl-ethenesulfonyl)-4-methyl-benzene 
• 216320-56-8 (Z)-1-ethylthio-1-phenylseleno-2-(p-toluenesulfonyl)ethene 
• 216320-70-6 1,1-di(phenylseleno)-2-(p-toluenesulfonyl)ethene 
• 105-39-5 chloroacetic acid ethyl ester 
• 68-12-2 N,N-dimethyl-formamide 
• 105-45-3 acetoacetic acid methyl ester 
• 106-45-6 para-thiocresol 
• 168064-94-6 1-phenylseleno-2-(p-toluenesulfonyl)ethyne 
• 13894-21-8 ethynyl p-tolyl sulfone 

Downstream Products

• 71512-25-9 methyl 2-(toluene-4-sulfonyl)pent-4-enoate 
• 94143-09-6 methyl 2-(4-tolylsulfonyl)butyrate 
• 112778-56-0 2-Allyl-2-(toluene-4-sulfonyl)-pent-4-enoic acid methyl ester 
• 121694-22-2 5,9-Dimethyl-2-(toluene-4-sulfonyl)-dec-9-enoic acid methyl ester 
• 113558-48-8 (E)-8-Methoxycarbonyloxy-2-(toluene-4-sulfonyl)-oct-6-enoic acid methyl ester 
• 113558-49-9 (E)-9-Methoxycarbonyloxy-2-(toluene-4-sulfonyl)-non-7-enoic acid methyl ester 
• 3937-96-0 tosylacetic acid 
• 94143-11-0 methyl 2-(4-methylphenylsulfonyl)-3-phenylpropionate 
• 31540-75-7 1-((dichloromethyl)sulfonyl)-4-methylbenzene 
• 851762-21-5 4-methyl-2-(toluene-4-sulfonyl)-pent-4-enoic acid methyl ester 

Relevant articles and documents

Synthesis, characterization and antioxidant activity of bis (arylsulfonylmethyl/arylaminosulfonylmethylazolyl) pyridines

A new class of bis(arylsulfonylmethylazolyl)pyridines and bis(arylaminosulfonylmethyl-azolyl)pyridines were synthesized from the synthetic intermediates methyl arylsulfonylacetic acid hydrazide and methyl arylaminosulfonylacetic acid hydrazide adopting a green methodology-ultrasonication. All the synthesized compounds were resulted in higher yield and in shorter reaction times. The spectral parameters such as IR, 1H NMR, 13C NMR, mass and microanalyzes were used to determine the structures of all the synthesized compounds and were assayed for antioxidant activity. The bis(arylaminosulfonylmethylazolyl)pyridines showed higher radical scavenging activity than the bis(arylsulfonylmethylazolyl)pyridines. Besides, unsubstituted, and methyl substituted compounds exhibited greater activity. Among all the tested compounds 8b and 11b were identified as potential antioxidants.

Discovery and Preclinical Characterization of 3-((4-(4-Chlorophenyl)-7-fluoroquinoline-3-yl)sulfonyl)benzonitrile, a Novel Non-acetylenic Metabotropic Glutamate Receptor 5 (mGluR5) Negative Allosteric Modulator for Psychiatric Indications

Negative allosteric modulators (NAM) of metabotropic glutamate receptor 5 (mGluR5) have been implicated as a potential pharmacotherapy for a number of psychiatric diseases, including anxiety and depression. Most of the mGluR5 NAM clinical candidates can be characterized by the central acetylenic moiety that connects the terminal pharmacophores. Identification of a sulfoquinoline hit via high throughput screening (HTS) followed by optimization provided a 4-phenyl-3-aryl-sulfoquinoline lead compound with the minimal pharmacophore. Optimization of the core and aryl appendages was performed by scanning and matrix libraries synthesized by the multiple parallel synthesis approach. Biological evaluation of matrix libraries provided a number of potent, metabolically stable, and in vivo active compounds. One of these compounds, 25 showed high efficacy and safety in preclinical in vivo models; this allowed its nomination as a novel, nonacetylenic mGluR5 NAM clinical candidate. Compound 25 was advanced to first-in-man trials for the treatment of psychiatric conditions.

An efficient electrochemical synthesis of β-keto sulfones from sulfinates and 1,3-dicarbonyl compounds

An efficient electrochemical synthesis of β-keto sulfones from sulfinates and 1,3-dicarbonyl compounds has been developed. The present electrochemical route could afford the target products in high to excellent yields under mild conditions.