550998-56-6

Basic information

• Product Name: METHYL 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE
• Synonyms: METHYL 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE;Benzo[b]thiophene-2-carboxylic acid, 7-chloro-, Methyl ester
• CAS NO: 550998-56-6
• Molecular Formula: C10H7ClO2S
• Molecular Weight: 226.67938
• Mol File: 550998-56-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 86-88°C
• Boiling Point: 338.693°C at 760 mmHg
• Flash Point: 158.636°C
• Appearance: /
• Density: 1.392g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.646
• CAS DataBase Reference: METHYL 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE(550998-56-6)
• EPA Substance Registry System: METHYL 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE(550998-56-6)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 550998-56-6(Hazardous Substances Data)

Usage

General Description

METHYL 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE is an organic compound with a molecular formula C11H7ClO2S. It is a derivative of benzothiophene, a heterocyclic compound containing a benzene ring fused to a thiophene ring. The 7-chloro substitution on the benzothiophene ring and the carboxylate group make this chemical valuable in organic synthesis and pharmaceutical research. It is commonly used as an intermediate in the production of various pharmaceuticals and agrochemicals, where the benzothiophene structure plays a crucial role in the biological activity of the final products. Moreover, METHYL 7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE has potential applications in material science and other industries due to its unique chemical structure and properties.

InChI:InChI=1/C10H7ClO2S/c1-13-10(12)8-5-6-3-2-4-7(11)9(6)14-8/h2-5H,1H3

Upstream product

• 2365-48-2 Methyl thioglycolate 
• 85070-48-0 2-fluoro-3-chlorobenzaldehyde 

Downstream Products

• 90407-16-2 7-chlorobenzo[b]thiophene-2-carboxylic acid 

Relevant articles and documents

Organic compound and organic electroluminescent device

The invention provides an organic compound as shown in a formula I. The invention also provides an application of the organic compound in an electroluminescent device. The organic compound provided by the invention not only can transmit electrons, but als

Discovery of a new series of potent and selective linear tachykinin NK 2 receptor antagonists

Starting from 1 (MEN 14268), a selective tachykinin NK2 receptor antagonist with an interesting in vitro pharmacological profile, a family of numerous antagonists was obtained through an optimization process focused on iterated structural modifications. The effects of the introduction of a wide variety of substituents on the lipophilic aromatic part of the molecule and the modulation of the structural constraint through the insertion of different achiral α,α-dialkylamino acids were investigated. In particular, aromatic and benzofused heteroaromatic moieties were introduced at the pseudo-N-terminal residue to replace the 2-benzothiophene moiety, and a systematic investigation of the best positioning of substituents onto the aromatic platform was reported for the benzothiophene core. Studies on the modulation of the length and the rigidity of the hydrophilic pseudo-C-terminal pendant are presented. Many heteroaliphatic groups are well tolerated by the receptor in this part of the ligand. The product 48f (MEN15596), bearing a methyl substituent on the benzothiophene and a tetrahydropyranylmethylpiperidine pendant, was finally selected for its good in vivo activity after intravenous, intraduodenal, and oral administration in guinea pigs.