1259393-27-5

Basic information

• Product Name: 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester
• Synonyms: 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester;methyl 7,9-dimethyl-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate;2,3,4,5-tetrahydro-7,9-dimethyl-5-oxo-1H-1-Benzazepine-1-carboxylic acid, methyl ester;evacetrapib Intermediate4;Evacetrapib int;Evacetrapib intermediate
• CAS NO: 1259393-27-5
• Molecular Formula: C14H17NO3
• Molecular Weight: 247.28968
• Mol File: 1259393-27-5.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester(1259393-27-5)
• EPA Substance Registry System: 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester(1259393-27-5)

Safety Data

• Hazardous Substances Data: 1259393-27-5(Hazardous Substances Data)

Usage

General Description

"1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester" is a very specific chemical compound. As suggested by its chemical name, it contains a benzazepine core structure which belongs to a class of chemical compounds recognized as organic heterocyclic compounds. The compound possesses two methyl (CH3) groups, an ester functional group (which involves a carbonyl adjacent to an ether), and a carboxylic acid group that has been reduced to a carbonyl, indicated by the 'oxo-' notation in the name. It’s also characterized by being in a tetrahydro- state, implying that the structure includes four additional hydrogen atoms than the parent compound.

Upstream product

• 95-68-1 2,4-Xylidine 
• 583-70-0 1-bromo-2,4-dimethylbenzene 
• 103235-33-2 (2,4-dimethyl-phenyl)-carbamic acid methyl ester 
• 1259393-30-0 4-[(2,4-dimethylphenyl)(methoxycarbonyl)amino]butanoic acid 

Relevant articles and documents

Synthesis of Methyl 7,9-Dimethyl-5-oxo-2,3,4,5-tetrahydro-1 H -benzo[ b ]azepine-1-carboxylate and Its Analogues

A high-yielding five-step synthesis of the title compound, methyl 7,9-dimethyl-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate, starting from 2,4-dimethylaniline was developed. This synthesis involved N-alkylation of 2,4-dimethyl aniline with ethyl 4-bromobutyrate to obtain ethyl 4-[(2,4-dimethylphenyl)amino]butanoate. Carbamoylation of the latter followed by hydrolysis of the resulting ester provided 4-[(2,4-dimethylphenyl)(methoxycarbonyl)amino]butanoic acid. Activation of the carboxylic acid using thionyl chloride followed by intramolecular cyclization via a Friedel-Crafts reaction using aluminum trichloride provided the title compound in good yield. Analogues of the title compound were also prepared similarly.

Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid

Compounds of a formula entitled, trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid, as a free acid or a pharmaceutically acce