307556-98-5

Basic information

• Product Name: ethyl 7-(4-propoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate
• Synonyms: ethyl 7-(4-propoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate
• CAS NO: 307556-98-5
• Molecular Weight: 400.496
• Mol File: 307556-98-5.mol

Chemical Properties

• CAS DataBase Reference: ethyl 7-(4-propoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 7-(4-propoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate(307556-98-5)
• EPA Substance Registry System: ethyl 7-(4-propoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate(307556-98-5)

Safety Data

• Hazardous Substances Data: 307556-98-5(Hazardous Substances Data)

Upstream product

• 307556-97-4 ethyl 7-(4-propoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 
• 93777-26-5 5-bromo-2-fluorobenzaldehyde 
• 39969-56-7 1-bromo-4-propoxybenzene 
• 70124-54-8 ethyl 4-mercaptobutanoate 
• 307556-96-3 2-fluoro-5-(4-propoxyphenyl)benzaldehyde 

Downstream Products

• 279261-54-0 7-(4-propoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid 1,1-dioxide 

Relevant articles and documents

Efficient synthesis of CCR5 antagonist, 2,3-dihydro-1-benzothiepine derivatives by improved intramolecular Claisen type reaction using dialkylcarbonate

The efficient synthesis of 2,3-dihydro-1-benzothiepine derivatives 4 has been developed. The intramolecular Claisen type reaction of the new products, 4-(o-formylphenylthio)butyrate 9, with alcoholate in dialkylcarbonate as a solvent afforded 4 in good yields. According to this new procedure, we have accomplished the practical preparation of CCR5 antagonist 1 as a candidate for oral HIV-1 therapy.

Processes for the preparation of 2,3-dihydrothiepine derivatives

A process for preparing a compound represented by the following formula: wherein each symbol is as defined below, or a salt thereof, characterized by subjecting a compound represented by the following formula: wherein R1 is an electron-attracting group; R2, R3, R4, R5, R6 and R7 are each a hydrogen atom, a halogen atom, an optionally substituted amino group, an optionally substituted hydroxyl group, an optionally substituted thiol group, an optionally substituted hydrocarbon group, or an optionally substituted heterocyclic group, provided that R6 and R7 may be united to form a ring; and R8 is a hydrogen atom or an optionally substituted hydrocarbon group, or a salt thereof, to a ring-closing reaction.