169879-06-5

Basic information

• Product Name: 4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
• Synonyms: 4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one;4-bromo-7-chloro-1-(4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one;4-bromo-1-(4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one;4-Bromo-1-(4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-o ne
• CAS NO: 169879-06-5
• Molecular Formula: C17H13BrN2O4
• Molecular Weight: 389.20012
• Mol File: 169879-06-5.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 568.2±50.0 °C(Predicted)
• Appearance: /
• Density: 1.590±0.06 g/cm3(Predicted)
• PKA: -3.92±0.40(Predicted)
• CAS DataBase Reference: 4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one(169879-06-5)
• EPA Substance Registry System: 4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one(169879-06-5)

Safety Data

• Hazardous Substances Data: 169879-06-5(Hazardous Substances Data)

Usage

General Description

4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one is a chemical compound with a molecular formula C18H13BrN2O4. It is a benzazepine derivative with a bromo substitution at position 4 and a nitrobenzoyl substitution at position 1. 4-bromo-1-(4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one has potential pharmacological activity and may be used in medicinal chemistry research. It is important to handle this chemical with caution, as it may have hazardous properties and should be used in accordance with proper safety protocols.

Upstream product

• 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 
• 137975-89-4 1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one 

Downstream Products

• 195531-22-7 {4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl}amine 
• 168626-94-6 conivaptan hydrochloride 

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.

Tricyclic benzazepine oxytocin and vasopressin antagonists.

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Preparation of tricyclic benzazepine vasopressin antagonists.

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