168626-93-5

Basic information

• Product Name: N-(4-(2-Methyl-5,6-dihydro-4H-benzo[b]oxazolo[5,4-d]azepine-6-carbonyl)phenyl)-[1,1'-biphenyl]-2-carboxaMide
• Synonyms: N-(4-(2-Methyl-5,6-dihydro-4H-benzo[b]oxazolo[5,4-d]azepine-6-carbonyl)phenyl)-[1,1'-biphenyl]-2-carboxaMide;Conivaptan hydrochloride Impurity G;Conivaptan hydrochkoride Impurity G
• CAS NO: 168626-93-5
• Molecular Formula: C32H25N3O3
• Molecular Weight: 499.5592
• EINECS: -0
• Mol File: 168626-93-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 679.5±55.0 °C(Predicted)
• Appearance: /
• Density: 1.286±0.06 g/cm3(Predicted)
• PKA: 12.78±0.70(Predicted)
• CAS DataBase Reference: N-(4-(2-Methyl-5,6-dihydro-4H-benzo[b]oxazolo[5,4-d]azepine-6-carbonyl)phenyl)-[1,1'-biphenyl]-2-carboxaMide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(4-(2-Methyl-5,6-dihydro-4H-benzo[b]oxazolo[5,4-d]azepine-6-carbonyl)phenyl)-[1,1'-biphenyl]-2-carboxaMide(168626-93-5)
• EPA Substance Registry System: N-(4-(2-Methyl-5,6-dihydro-4H-benzo[b]oxazolo[5,4-d]azepine-6-carbonyl)phenyl)-[1,1'-biphenyl]-2-carboxaMide(168626-93-5)

Safety Data

• Hazardous Substances Data: 168626-93-5(Hazardous Substances Data)

Upstream product

• 124-42-5 acetamidine hydrochloride 
• 7789-45-9 copper(II)bromide 
• 168626-54-8 N-[4-(5-oxo-2,3,4,5-tetrahydro-1H-benzazepine-1-carbonyl)phenyl]biphenyl-2-carboxamide 
• 137975-89-4 1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one 
• 1127-74-8 1,2,3,4-tetrahydro-5H-benzo[b] azepin-5-one 
• 68595-19-7 1-[(4-methylphenyl)sulfonyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carbonitrile 
• 137976-09-1 1-(4-aminobenzoyl)-2,3,4,5-tetrahydro1H-1-benzazepin-5-one 
• 14002-52-9 o-phenylbenzoyl chloride 
• 947-84-2 2-Biphenylcarboxylic acid 
• 261787-69-3 4'-(4-bromo-5-oxo-2,3,4,5-tetrahydro-1H-1-benzoazepine-1-carbonyl)-2-phenylbenzanilide 

Relevant articles and documents

Practical Synthesis of N-{4-[(2-Methyl-4,5-dihydroimidazo[4,5-d][1] benzazepin-6(1H)-yl)carbonyl]phenyl}biphenyl-2-carboxamide Monohydrochloride: An Arginine Vasopressin Antagonist

A novel, reliable, and cost-effective synthetic route to N-{4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl] -phenyl}biphenyl-2-carboxamide monohydrochloride (1, YM087), a potent Arginine vasopressin antagonist, has been developed. Using moisture-controlled potassium carbonate, imidazole formation from α-bromoketone furnished imidazobenzazepine, avoiding potential oxazole-ring formation. Catalytic reduction of nitro imidazobenzazepine afforded the corresponding amine in high yields. Treatment of the imidazole-containing amine directly, with a carbonyl chloride, afforded the target amide circumventing protection of the imidazole.

Condensed benzazepine derivative and pharmaceutical composition thereof

This invention relates to nitrogen-containing aromatic 5-membered ring-condensed benzazepine derivatives represented by the general formula (I) STR1 (symbols in the formula have the following meanings; ring B: a nitrogen-containing aromatic 5-membered ring having at least 1 nitrogen atom and optionally one oxygen or sulfur atom, which may optionally have substituent(s), R1 and R2 : these may be the same or different from each other and each represents a hydrogen atom, a halogen atom, a lower alkyl group, an amino group which may optionally be substituted by lower alkyl group(s), or a lower alkoxy group, A: a single bond; a group represented by the formula n: 0 or an integer of from 1 to 3, R3 and R4 : these may be the same or different from each other and each represents a hydrogen atom, a lower alkyl group (provided that R3 and R4 may together form a lower alkylene group having 2 to 7 carbon atoms), and ring C: a benzene ring which may optionally have substituent(s)) and salts thereof; to pharmaceutical compositions which contain these compounds as an active ingredient and to intermediates which are useful in synthesizing these compounds. The compounds of this invention are useful as arginine vasopressin antagonists.