1186401-03-5

Basic information

• Product Name: benzyl (2-((4-(trifluoromethoxy)phenyl)thio)ethyl)carbamate
• Synonyms: benzyl (2-((4-(trifluoromethoxy)phenyl)thio)ethyl)carbamate
• CAS NO: 1186401-03-5
• Molecular Weight: 371.38
• Mol File: 1186401-03-5.mol

Chemical Properties

• CAS DataBase Reference: benzyl (2-((4-(trifluoromethoxy)phenyl)thio)ethyl)carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: benzyl (2-((4-(trifluoromethoxy)phenyl)thio)ethyl)carbamate(1186401-03-5)
• EPA Substance Registry System: benzyl (2-((4-(trifluoromethoxy)phenyl)thio)ethyl)carbamate(1186401-03-5)

Safety Data

• Hazardous Substances Data: 1186401-03-5(Hazardous Substances Data)

Upstream product

• 501-53-1 benzyl chloroformate 

Downstream Products

• 1186400-99-6 benzyl 7-(trifluoromethoxy)-2,3-dihydrobenzo[f][1,4]thiazepine-4(5H)-carboxylate 

Relevant articles and documents

Synthesis of 2,3,4,5-Tetrahydrobenzo[1,4]thiazepines via N-Acyliminium Cyclization

We report an efficient and scalable synthesis of 7-methoxy-2,3,4,5-tetrahydrobenzo[1,4]thiazepine, the core structure of biologically active molecules like JTV-519 and S107. This synthetic route, starting with 4-methoxythiophenol and proceeding via acyliminum cyclization, gives the target product in four steps and 68% overall yield and is a substantial improvement over previously published processes. Nine additional examples of tetrahydrobenzo[1,4]thiazepine synthesis via acyliminium ring closure are also presented.