704-48-3

Basic information

• Product Name: 1,3,4,5-TETRAHYDRO-5-OXA-BENZO[B]AZEPIN-2-ONE
• Synonyms: 1,3,4,5-TETRAHYDRO-5-OXA-BENZO[B]AZEPIN-2-ONE;2,3-DIHYDROBENZO[B][1,4]OXAZEPIN-4(5H)-ONE;2,3,4,5-TETRAHYDRO-1,5-BENZOXAZEPIN-4-ONE(WXC08430)
• CAS NO: 704-48-3
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17
• Mol File: 704-48-3.mol
• Article Data: 8

Chemical Properties

• Melting Point: 128-129℃
• Boiling Point: 346℃
• Flash Point: 163℃
• Appearance: /
• Density: 1.186
• CAS DataBase Reference: 1,3,4,5-TETRAHYDRO-5-OXA-BENZO[B]AZEPIN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,4,5-TETRAHYDRO-5-OXA-BENZO[B]AZEPIN-2-ONE(704-48-3)
• EPA Substance Registry System: 1,3,4,5-TETRAHYDRO-5-OXA-BENZO[B]AZEPIN-2-ONE(704-48-3)

Safety Data

• Hazardous Substances Data: 704-48-3(Hazardous Substances Data)

Usage

General Description

1,3,4,5-Tetrahydro-5-oxa-benzo[b]azepin-2-one is a chemical compound with a molecular formula C9H9NO2. It is a heterocyclic compound with a bicyclic structure that contains a benzene ring fused to a seven-membered oxygen-containing ring. 1,3,4,5-TETRAHYDRO-5-OXA-BENZO[B]AZEPIN-2-ONE is used in organic chemistry and pharmaceutical research as a building block for the synthesis of other compounds. Its structure and properties make it valuable in the development of potential drug candidates and in the study of chemical reactions involving heterocyclic systems. Further research into its properties and potential uses may lead to new applications in the pharmaceutical and chemical industries.

Upstream product

• 24541-01-3 chroman-4-one oxime 
• 6303-99-7 3-(o-aminophenoxy)propionic acid 
• 491-37-2 2,3-dihydro-4H-1-benzopyran-4-one 
• 24541-01-3 (4E)-2,3-dihydro-4H-chromen-4-one oxime 
• 88-75-5 2-hydroxynitrobenzene 
• 6336-59-0 3-(o-nitrophenoxy)propionic acid 
• 7497-89-4 methyl 3-phenoxypropanoate 
• 1016863-79-8 3-phenoxypropionylhydroxamic acid 

Downstream Products

• 38824-32-7 N-[2-(2-morpholin-4-yl-ethoxy)-phenyl]-acrylamide 
• 38957-82-3 2-Methoxy-N-methylacrylanilid 
• 7160-97-6 2,3,4,5-tetrahydro-1,5-benzoxazepine 

Relevant articles and documents

Intramolecular cyclization of N-hydroxy-2-phenoxyacetamides and 3-phenoxypropanamides

Abstract: A novel route for the preparation of 2H-1,4- benzoxazin-3(4H)one and 1,5 benzoxazepinones by intramolecular cyclization of N-hydroxy 2-phenoxyacetamide and N-hydroxy -3 phenoxypropanamide using PPA and Lewis acid has been discussed. Graphical abstract: [Figure not available: see fulltext. Caption: Preparation of 2H-1,4- benzoxazin-3(4H)one and 1,5 benzoxazepinones by electrophilic aromatic substitution from N-hydroxy 2-phenoxyacetamide and N-hydroxy -3 phenoxypropanamide and their acetyl and benzoyl derivatives using PPA and Lewis acids.]

InBr3- and AgOTf-catalyzed beckmann rearrangement of (E)-benzoheterocyclic oximes

Beckmann rearrangement of (E)-4-chromanone oxime, (E)-5-oximino-3,4- dihydro-1(2H)-benzoxepines, and (E)-5-oximino-3,4-dihydro-1(2H)-benzothiepine are catalyzed by InBr3 and AgOTf in refluxing acetonitrile resulting in the formation of pharmaceutically active heterocycles benzoxazepin-4-one, 5-oxo-benzoxazocines, and 5-oxo-benzothiazocine derivative, respectively, in excellent yield. Copyright

Synthesis, SAR studies, and evaluation of 1,4-benzoxazepine derivatives as selective 5-HT1A receptor agonists with neuroprotective effect: Discovery of Piclozotan

A new series of 1,4-benzoxazepine derivatives was designed, synthesized, and evaluated for binding to 5-HT1A receptor and cerebral anti-ischemic effect. A lot of compounds exhibited nanomolar affinity for 5-HT1A receptor with good selectivity over both dopamine D 2 and α1-adrenergic receptors. Among these compounds, 3-chloro-4-[4-[4-(2-pyridinyl)-1,2,3,6-tetrahydropyridin-1-yl]butyl]- 1, 4-benzoxazepin-5(4H)-one (50: SUN N4057 (Piclozotan) as 2HCl salt) showed remarkable neuroprotective activity in a transient middle cerebral artery occlusion (t-MCAO) model.