259739-46-3

Basic information

• Product Name: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid
• Synonyms: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid
• CAS NO: 259739-46-3
• Molecular Weight: 296.39
• Mol File: 259739-46-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid(259739-46-3)
• EPA Substance Registry System: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid(259739-46-3)

Safety Data

• Hazardous Substances Data: 259739-46-3(Hazardous Substances Data)

Upstream product

• 279263-09-1 methyl 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate 
• 15084-55-6 7-bromo-3,4-dihydro-1-benzothiepin-5(2H)-one 
• 15115-76-1 4-[(4-bromophenyl)thio]butanoic acid 
• 15085-43-5 4-(4-bromophenylsulfanyl)butyric acid ethyl ester 
• 106-53-6 para-bromobenzenethiol 
• 677707-97-0 7-(4-methylphenyl)-3,4-dihydro-1-benzothiepin-5(2H)-one 
• 677707-98-1 methyl 7-(4-methylphenyl)-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylate 

Downstream Products

• 229005-68-9 7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide 
• 229005-96-3 N-(4-((N-3-methoxypropyl-N-methyl)aminomethyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide 
• 229006-30-8 N-(4-(N-(2-hydroxyethyl)-N-methyl)aminomethyl)phenyl-7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide 
• 229005-94-1 N-(4-((N-3-hydroxypropyl-N-methyl)aminomethyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide 
• 229005-92-9 N-(4-((N-methoxycarbonylmethyl-N-methyl)aminomethyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide 

Relevant articles and documents

Synthesis of 1-benzothiepine and 1-benzazepine derivatives as orally active CCR5 antagonists

Quaternary ammonium benzocycloheptene compound 1 has previously been reported as a clinical candidate for an injectable CCR5 antagonist. In order to develop an orally active CCR5 antagonist, derivatives of tertiary amine benzocycloheptene 2, the chemical precursor to 1, were investigated. The benzocycloheptene ring was converted to benzothiepine and benzazepine rings and it was found that these changes could enhance the potency of tertiary amine derivatives. In particular, the 1-benzothiepine-1,1-dioxide 11b and the N-methyl-1-benzazepine 18 showed increased activity and good preliminary pharmacokinetic properties. The synthesis of 1-benzothiepine and 1-benzazepine derivatives and their activity are described.