1467-86-3

Basic information

• Product Name: 6-Methylbenzo[b]thiophene-2-carboxylic acid
• Synonyms: 6-Methylbenzo[b]thiophene-2-carboxylic acid;6-Methylbenzothiophene-2-carboxylic acid;6-Methylbenzo[b]thiophene-2-carboxylic acid 99%;6-Methyl-1-benzothiophene-2-carboxylic acid, 2-Carboxy-6-methyl-1-benzothiophene;6-Methyl-1-benzothiophene-2-carboxylic acid;6-Methylbenzo[b]thiophene-2-carboxylicacid99%
• CAS NO: 1467-86-3
• Molecular Formula: C₁₀H₈O₂S
• Molecular Weight: 192.2343
• Mol File: 1467-86-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 243-244°C
• Boiling Point: 386.1 °C at 760 mmHg
• Flash Point: 187.3 °C
• Appearance: /
• Density: 1.355 g/cm³
• Vapor Pressure: 1.18E-06mmHg at 25°C
• Refractive Index: 1.69
• Storage Temp.: 2-8°C(protect from light)
• PKA: 3.56±0.30(Predicted)
• CAS DataBase Reference: 6-Methylbenzo[b]thiophene-2-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Methylbenzo[b]thiophene-2-carboxylic acid(1467-86-3)
• EPA Substance Registry System: 6-Methylbenzo[b]thiophene-2-carboxylic acid(1467-86-3)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 1467-86-3(Hazardous Substances Data)

Usage

General Description

6-Methylbenzo[b]thiophene-2-carboxylic acid is a chemical compound with the molecular formula C11H8O2S. It is a derivative of benzo[b]thiophene, containing a carboxylic acid group and a methyl substituent. 6-Methylbenzo[b]thiophene-2-carboxylic acid has potential applications in the pharmaceutical industry due to its structural features, which make it suitable for functionalization and further modification. It may also have biological activity and could serve as a starting material for the synthesis of various bioactive compounds. Additionally, 6-Methylbenzo[b]thiophene-2-carboxylic acid may have other industrial uses such as in the production of dyes, pigments, or agrochemicals. Further research and development may reveal additional potential applications for this compound.

InChI:InChI=1/C10H8O2S/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-5H,1H3,(H,11,12)

Upstream product

• 34576-96-0 3-chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid 
• 7440-44-0 pyrographite 
• 7440-05-3 palladium 
• 93515-29-8 α-mercapto-β-(4-methylphenyl)acrylic acid 

Downstream Products

• 84258-77-5 6-methyl-2-styrylbenzothiophene 
• 82788-52-1 6-Imidazol-1-ylmethyl-benzo[b]thiophene-2-carboxylic acid 
• 82787-74-4 methyl 6-(bromomethyl)benzo[b]thiophene-2-carboxylate 
• 82787-72-2 6-methylbenzothiophene-2-carboxylic acid methyl ester 

Relevant articles and documents

Process for the preparation of ibodutant (MEN15596) and related intermediates

This invention relates to a novel process for synthesizing the product ibodutant shown in the figure below, consisting of a small number of high-yield steps involving reagents and solvents with low environmental impact, characterized by the coupling of two portions, compounds (3) and (4), one of which (3) is synthesized by coupling of 6-methyl-2-benzo[b]thiophenecarboxylic acid (1) with 1-amino-alpha-alpha-cyclopentan carboxylic acid and subsequent cyclization with oxazolone, while the other, compound (4), is obtained from suitable highly selective functionalizations of 4-aminomethylpiperidine (2).

PROCESS FOR THE PREPARATION OF IBODUTANT (MEN15596) AND RELATED INTERMEDIATES

This invention relates to a novel process for synthesising the product ibodutant shown in the figure below, consisting of a small number of high- yield steps involving reagents and solvents with low environmental impact, characterised by the coupling of two portions, compounds (3) and (4), one of which (3) is synthesised by coupling of 6-methyl-2- benzo[b]thiophenecarboxylic acid (1) with 1-amino-alpha-alpha-cyclopentan carboxylic acid and subsequent cyclization with oxazolone, while the other, compound (4), is obtained from suitable highly selective functionalisations of 4-aminomethylpiperidine (2).