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

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

Uses

Used in Pharmaceutical Industry:
6-Methylbenzo[b]thiophene-2-carboxylic acid is used as a starting material for the synthesis of bioactive compounds due to its structural features that allow for functionalization and modification. Its potential biological activity makes it a valuable component in the development of new pharmaceuticals.
Used in Dye and Pigment Production:
6-Methylbenzo[b]thiophene-2-carboxylic acid is used as a chemical intermediate in the production of dyes and pigments, leveraging its unique structural properties to contribute to the color and stability of these products.
Used in Agrochemicals:
6-Methylbenzo[b]thiophene-2-carboxylic acid is used in the development of agrochemicals, potentially serving as a building block for the synthesis of compounds with pesticidal or herbicidal properties, enhancing crop protection and yield.
As research and development in these areas progress, it is anticipated that the applications of 6-Methylbenzo[b]thiophene-2-carboxylic acid will expand, reflecting its adaptability and importance across various industrial sectors.

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

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

Downstream Products

• 82787-72-2 6-methylbenzothiophene-2-carboxylic acid methyl ester 
• 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 

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 tw

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).

An improved synthesis of substituted benzo[b]thiophenes using microwave irradiation

An easy and high-yielding method for the synthesis of substituted benzo[b]thiophenes using microwave irradiation is described.