703-51-5

Basic information

• Product Name: 3,4-Hihydro-1,4-benzoxazepin-5(2H)-one
• Synonyms: 2-oxa-5-azabicyclo[5.4.0]undeca-7,9,11-trien-6-one;3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one;3,4-Hihydro-1,4-benzoxazepin-5(2H)-one;3,4-Dihydro-2H-benzo[f][1,4]oxazepin-5-one;3,4-dihydro-2H-1,4-benzoxazepin-5-one
• CAS NO: 703-51-5
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17
• Mol File: 703-51-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 115-116 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 404.7 °C at 760 mmHg
• Flash Point: 198.6 °C
• Appearance: /
• Density: 1.186 g/cm³
• Vapor Pressure: 9.27E-07mmHg at 25°C
• Refractive Index: 1.545
• Storage Temp.: 2-8°C
• PKA: 14.31±0.20(Predicted)
• CAS DataBase Reference: 3,4-Hihydro-1,4-benzoxazepin-5(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Hihydro-1,4-benzoxazepin-5(2H)-one(703-51-5)
• EPA Substance Registry System: 3,4-Hihydro-1,4-benzoxazepin-5(2H)-one(703-51-5)

Safety Data

• Hazardous Substances Data: 703-51-5(Hazardous Substances Data)

Usage

General Description

3,4-Dihydro-1,4-benzoxazepin-5(2H)-one, also known as DOB, is a chemical compound with a cyclic structure containing a benzene ring fused to an oxazine ring with a ketone functional group. 3,4-Hihydro-1,4-benzoxazepin-5(2H)-one has been studied for its potential pharmacological properties, including as an anticonvulsant and anxiolytic agent. Its structure and properties make it a potential candidate for drug development and research in the field of medicinal chemistry. However, it is important to proceed with caution and further investigations are needed to fully understand its effects and potential applications.

InChI:InChI=1/C9H9NO2/c11-9-7-3-1-2-4-8(7)12-6-5-10-9/h1-4H,5-6H2,(H,10,11)

Upstream product

• 24541-01-3 chroman-4-one oxime 
• 491-37-2 2,3-dihydro-4H-1-benzopyran-4-one 

Downstream Products

• 708-05-4 4-methyl-6,7-benzo-1-ox-4-azepin-5-one 
• 784983-95-5 (aminoethoxy)benzoic acid 
• 21228-44-4 3,4-dihydro-2H-benzo[f][1,4]oxazepine-5-thione 
• 5755-05-5 7-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one 
• 17775-01-8 2.3.4.5-Tetrahydro-benzo[f][1,4]oxazepine 
• 30570-95-7 4-(4-chloro-benzyl)-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-one 
• 21227-97-4 cyclohexyl-(2,3-dihydro-benzo[f][1,4]oxazepin-5-yl)-amine 
• 30558-92-0 benzyl-(2,3-dihydro-benzo[f][1,4]oxazepin-5-yl)-amine; hydrochloride 
• 30786-16-4 4-(4-chloro-benzyl)-3,4-dihydro-2H-benzo[f][1,4]oxazepine-5-thione 
• 919091-52-4 5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonyl chloride 
• 554-68-7 triethylamine hydrochloride 
• 1251156-08-7 [7-(6-aminopyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl][3-fluoro-2-methyl-4-(methylsulfonyl)-phenyl]methanone 
• 740842-71-1 7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine 
• 740842-73-3 1,1-dimethylethyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate 

Relevant articles and documents

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.