17512-61-7

Basic information

• Product Name: 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE
• Synonyms: FI 7009;3-bromomethyl-7-chlorobenzo[b]thiophine;Sertaconazole impurity B;3-(Bromomethyl)-7-chloro-benzothiophene;3-(Bromomethyl)-7-chloro-1-benzothiophene
• CAS NO: 17512-61-7
• Molecular Formula: C₉H₆BrClS
• Molecular Weight: 259.91
• EINECS: 1308068-626-2
• Product Categories: Heterocycle-oher series;CMLLYL
• Mol File: 17512-61-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 345.5 °C at 760 mmHg
• Flash Point: 162.8 °C
• Appearance: /
• Density: 1.693 g/cm³
• Vapor Pressure: 0.000122mmHg at 25°C
• Refractive Index: 1.704
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE(17512-61-7)
• EPA Substance Registry System: 3-(BROMOMETHYL)-7-CHLORO BENZO[B]THIOPHENE(17512-61-7)

Safety Data

• Hazardous Substances Data: 17512-61-7(Hazardous Substances Data)

Usage

Chemical Properties

Off-white Solid

Uses

Intermediate in the preparation of imidazole antifungal agents.

InChI:InChI=1/C9H6BrClS/c10-4-6-5-12-9-7(6)2-1-3-8(9)11/h1-3,5H,4H2

Upstream product

• 17514-68-0 3-methyl-7-chlorobenzo[b]thiophene 
• 6320-03-2 2-chlorothiphenol 
• 17514-52-2 1-(2-chlorophenylthio)propan-2-one 

Downstream Products

• 99592-39-9 sertaconazole nitrate 
• 17514-68-0 3-methyl-7-chlorobenzo[b]thiophene 
• 583057-51-6 Arasertaconazole GRUPO FERRER 
• 99592-32-2 sertaconazole 
• 99592-49-1 1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanone O-(7-chloro-benzo[b]thiophen-3-ylmethyl)-oxime 

Relevant articles and documents

Application of benzene in preparation 3 - bromomethyl -7 - chlorobenzene and (b) thiophene

The invention provides an application of benzene in preparation 3 - bromomethyl -7 -chlorobenzo (b) thiophene, wherein benzene is used as a solvent in the process of preparing 3 -bromomethyl -7 -chlorobenzo (b) thiophene in 3 - methyl -7 -chlorobenzene and (b) thiophene. 3 - Bromomethyl -7 - chlorobenzene and (b) thiophene are prepared by using benzene instead of carbon tetrachloride as a solvent for bromination reaction, and the yield of the obtained product can reach above 57% and higher than that of 3 - bromomethyl -7 - chlorobenzene and (b) thiophene by using carbon tetrachloride as a solvent for bromination reaction.

Method for synthesizing 3 - bromomethyl -7 -chlorobenzo [b] thiophene

The invention discloses a synthesis method of 3 - bromomethyl -7 -chlorobenzo [b] thiophene. The method comprises the following steps: adding a substrate 3 - methyl -7 -chlorobenzo [b] thiophene to the linear alkane of C6 - C8 serving as a solvent, adding the initiator benzoyl peroxide under stirring, heating to boiling, adding the bromination agent N - bromosuccinimide in a batch mode, and continuing the stirring reaction under boiling. 3 - Bromomethyl -7 - chlorobenzo [b] thiophene is prepared by using C6 - C8 linear alkane as a reaction solvent through bromination reaction. C6 - C8 linear alkanes are less toxic than carbon tetrachloride. The atmospheric ozone layer is not destroyed. Moreover, the use is not limited and is more suitable for industrial production.

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.