649569-56-2

Basic information

• Product Name: METHYL 5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE
• Synonyms: METHYL 5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE
• CAS NO: 649569-56-2
• Molecular Formula: C₁₂H₉ClO₂S
• Molecular Weight: 252.72
• Mol File: 649569-56-2.mol

Chemical Properties

• Boiling Point: 378.6°C at 760 mmHg
• Flash Point: 182.8°C
• Appearance: /
• Density: 1.302g/cm³
• Vapor Pressure: 6.22E-06mmHg at 25°C
• Refractive Index: 1.594
• CAS DataBase Reference: METHYL 5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE(649569-56-2)
• EPA Substance Registry System: METHYL 5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE(649569-56-2)

Safety Data

• Hazardous Substances Data: 649569-56-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
METHYL 5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure and properties allow it to be modified and transformed into other compounds with therapeutic effects, contributing to the development of new medications for treating various diseases and conditions.
Used in Agrochemical Industry:
In the agrochemical sector, METHYL 5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE serves as a key intermediate in the production of agrochemicals. Its chemical properties make it suitable for the synthesis of compounds with pesticidal, herbicidal, or other agricultural applications, helping to improve crop protection and yield.
Used in Chemical Research and Development:
METHYL 5-(4-CHLOROPHENYL)THIOPHENE-2-CARBOXYLATE is also utilized in chemical research and development for exploring its potential applications and reactions. Its ability to undergo various chemical modifications makes it an interesting subject for scientists to study and develop new compounds with different properties and functions, expanding the horizons of chemical science and technology.

InChI:InChI=1/C12H9ClO2S/c1-15-12(14)11-7-6-10(16-11)8-2-4-9(13)5-3-8/h2-7H,1H3

Upstream product

• 67-56-1 methanol 
• 40133-14-0 5-(4-chlorophenyl)thiophene-2-carboxylic acid 
• 124-38-9 carbon dioxide 
• 40133-23-1 2-(4-chlorophenyl)thiophene 
• 74-88-4 methyl iodide 
• 108-90-7 chlorobenzene 

Downstream Products

• 24680-29-3 [5-(4-chloro-phenyl)-thiophen-2-yl]-methanol 
• 24680-42-0 2-(5-(4-chlorophenyl)thiophen-2-yl)acetic acid 
• 84863-77-4 [5-(4-Chloro-phenyl)-thiophen-2-yl]-acetic acid methyl ester 
• 24680-31-7 2-(5-(4-chlorophenyl)thiophen-2-yl)acetonitrile 

Relevant articles and documents

Direct Carboxylation of Electron-Rich Heteroarenes Promoted by LiO-tBu with CsF and [18]Crown-6

We herein demonstrate that the combination of LiO-tBu, CsF, and [18]crown-6 efficiently promotes the direct C?H carboxylation of electron-rich heteroarenes (benzothiophene, thiophene, benzofuran, and furan derivatives). A variety of functional groups, including methyl, methoxy, halo, cyano, amide, and keto moieties, are compatible with this system. The reaction proceeds via the formation of a tert-butyl carbonate species.

Synthesis and structure-activity relationships of 5-phenylthiophenecarboxylic acid derivatives as antirheumatic agents

5-(Phenylthiophene)-3-carboxylic acid (2a), a metabolite of esonarimod (1), which was developed as a new antirheumatic drug, was considered as a lead compound for new antirheumatic drugs. A new series of 2a derivatives were synthesized and their characteristic pharmacological effects, that is their antagonistic effect toward interleukin (IL)-1 in mice and the suppressive effect against adjuvant-induced arthritis (AIA) in rats, were evaluated and compared with those of 1. The structure-activity relationships indicated that [5-(4-bromophenyl)-thiophen-3-yl]acetic acid (5d), methyl [5-(4-chlorophenyl)-thiophen-3-yl]acetate (5h), and methyl [5-(4-bromophenyl)-thiophen-3-yl]acetate (5i) suppressed AIA more potently than 1 and all of the other synthesized compounds.