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

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)

Upstream product

• 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 
• 1016863-79-8 3-phenoxypropionylhydroxamic acid 
• 7497-89-4 methyl 3-phenoxypropanoate 
• 6336-59-0 3-(o-nitrophenoxy)propionic acid 
• 88-75-5 2-hydroxynitrobenzene 
• 24541-01-3 chroman-4-one oxime 

Downstream Products

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

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.]

3. 4 - diphenyl - 4H - 1, 2, 4 - triazole derivative and its preparation method and application (by machine translation)

The invention discloses 3, 4 - diphenyl - 4H - 1, 2, 4 - triazole derivative and its preparation method and application. In particular, the invention relates to the formula (I) structure of 3, 4 - diphenyl - 4H - 1, 2, 4 - triazole derivatives, its stereoisomers or its pharmaceutically acceptable salt, formula (I) in the definition of each substituent is as defined in the specification. These structure of novel compound with heat shock protein HSP90 inhibitory activity, can be used for treating cancer, neurodegenerative diseases, inflammatory diseases, autoimmune diseases, ischemic brain injury and the like, it has broad application prospects. (by machine translation)

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

GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO

GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R1a, R1b, R1c, R1d, R2, R2a, and A are as defined herein, including stereoisomers, esters, solvates, and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

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.

N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT

The present invention relates to the compound presented by formula (I) (wherein all symbols in formula (I) are the same mean as the description shown in the specification.), mitocondorial benzogeazepin receptor (MBR) antagonist comprising the compound, the preventive and/or treatment medicine against diseases caused by stress of which an active ingredient is the compound. Since the compound represented by formula (I) has MBR antagonistic activity, and controls the production of neurosteroid, it is useful as the preventive and/or treatment medicine against diseases caused by stress.

Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient

A benzene-fused heteroring derivative of formula (I) 1, wherein all symbols are the same as described in the specification, and a non-toxic salt thereof. The compound of formula (I) has an inhibitory activity against cysteine protease and therefore it is

Effect of ring size or an additional heteroatom on the potency and selectivity of bicyclic benzylamine-type inhibitors of phenylethanolamine N- methyltransferase

In the search for potent and selective inhibitors of the enzyme phenylethanolamine N-methyltransferase (PNMT; EC 2.1.1.28), we examined the effect of ring size or an additional heteroatom in the conformationally- restricted benzylamine-type PNMT inhibitors. Based on semiempirical calculations (MNDO) and molecular modeling studies, PNMT-inhibitory activity of these compounds seemed to be dependent on (a) the torsion angle between the plane of the aromatic ring and the endo N atom lone pair (τ2 angle), with the optimal value of τ2 being about -75°, and (b) the amount of steric bulk about the 3-position of 1,2,3,4-tetrahydroisoquinoline (5, THIQ). 2,3,4,5-Tetrahydro-1H-2-benzazepine (6) was found to have the highest selectivity (PNMT K(i) = 3.34 μM, α2 K(i) = 11 μM, selectivity = 3.2) as compared to other homologues of THIQ (PNMT K(i) = 9.67 μM, α2 K(i) = 0.35 μM, selectivity = 0.036). The higher PNMT-inhibitory activity of 6 was attributed to favorable steric interactions of the puckered methylene groups in the putative bioactive conformation of 6 at the PNMT active site, whereas unfavorable interactions of these puckered methylene groups at the α2- adrenoceptor were thought to be the cause of reduced α2 affinity of 6. No further enhancement of the selectivity of the benzazepine ring system could be obtained via introduction of a second heteroatom (N, O, S) at the 5- position in this ring system.