50288-76-1

Basic information

• Product Name: 2-Chloro-3-methylbenzo[b]thiophene
• Synonyms: Benzo[b]thiophene, 2-chloro-3-methyl-
• CAS NO: 50288-76-1
• Molecular Formula: C9H7ClS
• Molecular Weight: 182.67
• Mol File: 50288-76-1.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-Chloro-3-methylbenzo[b]thiophene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-3-methylbenzo[b]thiophene(50288-76-1)
• EPA Substance Registry System: 2-Chloro-3-methylbenzo[b]thiophene(50288-76-1)

Safety Data

• Hazardous Substances Data: 50288-76-1(Hazardous Substances Data)

Upstream product

• 3133-78-6 3-methylbenzo[b]thiophene-2-carboxylic acid 
• 108-98-5 thiophenol 
• 1455-18-1 3-methylbenzothiophene 
• 102246-34-4 2,3-dichloro-2,3-dihydro-3-methylbenzothiophene 

Relevant articles and documents

Synthetic method of aryl halide taking aryl carboxylic acid as raw material

A synthetic method of an aryl halide taking aryl carboxylic acid as a raw material is characterized in that a corresponding aryl halide is formed by carrying out substitution reaction on an aryl carboxylic acid compound and haloid salt MX in an organic solvent under the condition that oxygen, a silver catalyst, a copper additive and a bidentate nitrogen ligand exist, wherein M in MX represents alkali metal or alkaline earth metal, and X represents F, Cl, Br or I. Compared with a conventional aryl halide synthetic method, the synthetic method disclosed by the invention has the obvious advantages that reaction raw materials (comprising aryl carboxylic acid and MX) are cheap and easy to obtain, the using amount of a metal catalyst is small, pollution to the environment when the oxygen is used as an oxidant is the smallest, good tolerance to various functional groups on an aromatic ring is obtained, the yield is high, and the like. The synthetic method disclosed by the invention can be widely applied to synthesis in the fields of medicine, materials, natural products and the like in industry and academia.

Halogeno-Substituted 2- and 3-Methylbenzothiophenes: Use of 1H NMR Spectral Analysis and 1H Nuclear Overhauser Effect for Locating the Halogen Substituent

Thirty-seven halogeno-substituted 2- and 3-methyl-(or halogenomethyl)-benzothiophenes, including 17 new compounds, were prepared.The constitution of 14 of these was confirmed by full analysis (LAOCOON) of their 80 MHz 1H NMR spectra and by 1H NOE measurements.In this way a by-product from the preparation of 4- and 6-bromo-3-bromomethylbenzothiophenes was shown conclusively to be 5-bromo-3-bromomethylbenzothiophene.The 3-substituted benzothiophenes showed greater NOE enhancement factors at H-4 than at H-2 when the 3-methyl or halogenomethyl substituent was irradiated.