82787-72-2

Basic information

• Product Name: 6-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
• Synonyms: 6-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER;Methyl 6-Methylbenzo[b]thiophene-2-carboxylate
• CAS NO: 82787-72-2
• Molecular Formula: C11H10O2S
• Molecular Weight: 206.26
• Mol File: 82787-72-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 322.3°C at 760 mmHg
• Flash Point: 148.7°C
• Appearance: /
• Density: 1.233g/cm³
• Vapor Pressure: 0.000281mmHg at 25°C
• Refractive Index: 1.624
• CAS DataBase Reference: 6-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 6-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER(82787-72-2)
• EPA Substance Registry System: 6-METHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER(82787-72-2)

Safety Data

• Hazardous Substances Data: 82787-72-2(Hazardous Substances Data)

Usage

General Description

6-Methyl-benzo[b]thiophene-2-carboxylic acid methyl ester is a chemical compound with a molecular structure consisting of a benzo[b]thiophene ring with a methyl group and a carboxylic acid methyl ester. It is commonly used in organic synthesis as a building block for the preparation of various biologically active molecules and pharmaceuticals. This chemical is also known for its potential applications in the field of medicinal chemistry and drug discovery. Moreover, it is of interest for its versatile reactivity and potential use as a precursor for the synthesis of various functionalized compounds with diverse applications in the chemical industry.

InChI:InChI=1/C11H10O2S/c1-7-3-4-8-6-10(11(12)13-2)14-9(8)5-7/h3-6H,1-2H3

Upstream product

• 67-56-1 methanol 
• 1467-86-3 6-methyl-2-benzo[b]thiophenecarboxylic acid 
• 352-70-5 m-Fluorotoluene 
• 16587-47-6 6-methylbenzo[b]thiophene 
• 74-88-4 methyl iodide 
• 2365-48-2 Methyl thioglycolate 
• 146137-80-6 2-fluoro-4-methylbenzaldehyde 

Downstream Products

• 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

Ag(I)-Catalyzed C-H Carboxylation of Thiophene Derivatives

CO2utilization is an attractive aspect as it allows the direct conversion of CO2into valuable chemicals. In this regard, direct incorporation of CO2into the C-H bond of heteroaromatic compounds is important due to the ubiquitous structural motifs of the heteroaromatic carboxylic acids. Herein, we report the Ag-catalyzed C-H carboxylation of thiophene derivatives. This new catalytic system involving a phosphine ligand and lithiumtert-butoxide enables the direct carboxylation of thiophenes under mild reaction conditions. Experimental studies revealed that the use oftert-butyl alkoxide is critical for the exergonic formation of an arylsilver intermediate, and the results were further supported by density functional theory calculations.

Fluorine as an ortho-directing group in aromatic metalation: A two step preparation of substituted benzo[b] thiophene-2-carboxylates

A simple 2-step synthesis of B-ring substituted benzo[b]thiophene-2-carboxylates from aryl fluorides has been developed. The route involves a selective lithiation ortho to fluorine, followed by formylation, and subsequently, displacement of fluorine with