212705-03-8

Basic information

• Product Name: [4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)phenyl] trifluoromethanesulfonate
• Synonyms: [4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)phenyl] trifluoromethanesulfonate
• CAS NO: 212705-03-8
• Molecular Weight: 432.509
• Mol File: 212705-03-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)phenyl] trifluoromethanesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: [4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)phenyl] trifluoromethanesulfonate(212705-03-8)
• EPA Substance Registry System: [4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)phenyl] trifluoromethanesulfonate(212705-03-8)

Safety Data

• Hazardous Substances Data: 212705-03-8(Hazardous Substances Data)

Upstream product

• 1073-29-6 2-(methylsulfenyl)phenol 
• 22720-75-8 2-acetyl benzo[b]thiophene 
• 51868-95-2 1-(benzo[b]thiophen-2-yl)ethanol 
• 358-23-6 trifluoromethylsulfonic anhydride 
• 212705-00-5 4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)phenol 

Downstream Products

• 212705-06-1 4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)benzenemethanol 
• 212705-07-2 4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)benzaldehyde 

Relevant articles and documents

Characterization and Synthesis of a 6-Substituted Benzo[b]thiophene

An impurity observed during the synthesis of zileuton (Zyflo) has been isolated and characterized as a benzo[o]thiophene derivative that has undergone electrophilic substitution in the 6 position (4). A nine-step synthesis confirms the structural assignment. Key steps in the synthesis include a regioselective Friedel-Crafts coupling between 2-hydroxythioanisole, 8, and 1-(benzo[6]thien-2-yl)ethanol, 1, and formation of a benzo[b]thiophene from an o-methylthiobenzaldehyde, 14, and chloroacetone. The synthesis provides a potentially general route to substituted benzo[6]thiophenes.