137976-09-1

Basic information

• Product Name: 1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one
• Synonyms: 1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one
• CAS NO: 137976-09-1
• Molecular Formula: C₁₇H₁₆N₂O₂
• Molecular Weight: 280.32114
• Mol File: 137976-09-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 520.307°C at 760 mmHg
• Flash Point: 268.472°C
• Appearance: /
• Density: 1.269g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.651
• CAS DataBase Reference: 1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one(137976-09-1)
• EPA Substance Registry System: 1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one(137976-09-1)

Safety Data

• Hazardous Substances Data: 137976-09-1(Hazardous Substances Data)

Usage

Description

1-(4-Amino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one is a heterocyclic chemical compound with the molecular formula C17H16N2O2. It features a benzene ring fused to a seven-membered ring, with a ketone and an amino group attached at different positions. 1-(4-Amino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one is widely recognized for its utility as a building block in organic synthesis and medicinal chemistry, where it acts as a precursor for the synthesis of various pharmaceuticals and biologically active compounds. Its distinctive structure and reactivity render it a crucial intermediate in the production of drugs and other organic compounds.

Uses

Used in Pharmaceutical Industry:
1-(4-Amino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one is used as a key intermediate for the synthesis of various pharmaceuticals. Its unique structure allows for the creation of a wide range of biologically active compounds, making it a valuable asset in drug development.
Used in Organic Synthesis:
In the field of organic synthesis, 1-(4-Amino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one serves as a versatile building block. Its reactivity and structural features enable the production of a diverse array of organic compounds, contributing to the advancement of chemical research and innovation.
Used in Medicinal Chemistry:
1-(4-Amino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one is also utilized in medicinal chemistry as a precursor for the development of new drugs. Its distinctive molecular structure facilitates the design and synthesis of novel therapeutic agents, potentially leading to breakthroughs in the treatment of various diseases and conditions.

InChI:InChI=1/C17H16N2O2/c18-13-9-7-12(8-10-13)17(21)19-11-3-6-16(20)14-4-1-2-5-15(14)19/h1-2,4-5,7-10H,3,6,11,18H2

Upstream product

• 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 
• 122-04-3 4-nitro-benzoyl chloride 
• 67-56-1 methanol 
• 62-53-3 aniline 
• 62-23-7 4-nitro-benzoic acid 
• 3460-11-5 4-nitrobenzanilide 

Downstream Products

• 137973-78-5 2-Chloro-N-[4-(5-oxo-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-phenyl]-benzamide 
• 168626-93-5 4'-(2-methyl-5,6-dihydro-4H-oxazolo[4,5-d][1]benzoazepine-6-carbonyl)-2-phenylbenzanilide 
• 168626-94-6 conivaptan hydrochloride 
• 137976-61-5 2-methyl-4'-[(5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]benzanilide 
• 168626-54-8 N-[4-(5-oxo-2,3,4,5-tetrahydro-1H-benzazepine-1-carbonyl)phenyl]biphenyl-2-carboxamide 
• 150681-95-1 (Methyl-{1-[4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-amino)-acetic acid ethyl ester 
• 137976-95-5 5-(acetoxyimino)-1-{4-[(2-methylbenzoyl)amino]benzoyl}-2,3,4,5-tetrahydro-⁽⁵⁾1H-benzazepine 
• 154890-02-5 5-methylamino-1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine 
• 150681-19-9 5-hydroxy-1-[4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 150681-17-7 N-[4-(5-Amino-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-phenyl]-2-methyl-benzamide 

Relevant articles and documents

Preparation method of conivaptan hydrochloride

The invention discloses a preparation method of conivaptan hydrochloride. The preparation method includes: taking aniline (compound I) as a raw material which is subjected to amidation, alkylation, friedel-crafts acylation, nitro reduction, amidation, alpha-chloro, cyclization and salt-forming reaction to obtain the conivaptan hydrochloride. With the method, the aniline is taken as the raw material easy to obtain, and toxic substances of acyl chloride and the like are avoided during amidation. The entire synthesis process is small in pollution and easy to process with the brand new synthesis theory, and reaction conditions of procedures are moderate; the preparation method is moderate in reaction condition of each procedure, simple in operation, high in yield and purity, environment friendly, low in production cost and suitable in industrial production.

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.

BENZOHETEROCYCLIC COMPOUNDS

Novel benzoheterocyclic compounds of the formula: STR1 wherein R. sup.1 is H, halogen, alkyl, optionally substituted amino, alkoxy; R 2 is H, halogen, alkoxy, phenyialkoxy, OH, alkyl, optionally substituted amino, carbamoyl-alkoxy, optionally substituted