57552-95-1

Basic information

• Product Name: 5H-1,4-Diazepin-5-one, 1,2,3,4-tetrahydro-7-phenyl-
• Synonyms: 5H-1,4-Diazepin-5-one, 1,2,3,4-tetrahydro-7-phenyl-
• CAS NO: 57552-95-1
• Molecular Formula: C₁₁H₁₂N₂O
• Molecular Weight: 188.22578
• Mol File: 57552-95-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: 206 °C
• Boiling Point: 434.5±45.0 °C(Predicted)
• Appearance: /
• Density: 1.118±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 13.70±0.40(Predicted)
• CAS DataBase Reference: 5H-1,4-Diazepin-5-one, 1,2,3,4-tetrahydro-7-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 5H-1,4-Diazepin-5-one, 1,2,3,4-tetrahydro-7-phenyl-(57552-95-1)
• EPA Substance Registry System: 5H-1,4-Diazepin-5-one, 1,2,3,4-tetrahydro-7-phenyl-(57552-95-1)

Safety Data

• Hazardous Substances Data: 57552-95-1(Hazardous Substances Data)

Usage

General Description

5H-1,4-Diazepin-5-one, 1,2,3,4-tetrahydro-7-phenyl- is a chemical compound that belongs to the class of diazepine derivatives. It is a bicyclic heterocyclic compound that contains a seven-membered ring with four carbon atoms and three nitrogen atoms. The compound is characterized by the presence of a phenyl group attached to the tetrahydro-diazepinone ring. This chemical compound has potential applications in pharmaceutical research and may be used as a building block for the synthesis of other bioactive compounds. Its structure and properties make it suitable for further exploration as a potential drug candidate or as a precursor in organic synthesis.

Upstream product

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Downstream Products

• 130017-21-9 7-phenyl-2,3,4,5-tetrahydro-1,4-diazepine-5-thione 
• 89044-79-1 7-phenyl hexahydro-1,4-diazepine-5-one 
• 150254-24-3 6-chloro-7-phenyl-2,3,4,5-tetrahydro-1,4-diazepine-5-one 
• 220898-23-7 1-tert-butoxycarbonyl-7-phenyl-1,4-diazepane 
• 220898-16-8 1-tert-butoxycarbonyl-7-phenyl-1,4-diazepan-5-one 
• 130017-23-1 7-Phenyl-1,2,3,4-tetrahydro-[1,4]diazepin-5-one oxime 
• 57578-97-9 5-ethoxy-7-phenyl-2,3-dihydro-1H-[1,4]diazepine 
• 1268830-15-4 4-tert-butoxycarbonyl-1-{[1-(4-cyanobenzyl)-1H-imidazol-5-yl]methyl}-5-phenyl-1,4-diazepane 
• 1268830-23-4 1-benzoyl-4-tert-butoxycarbonyl-5-phenyl-1,4-diazepane 
• 1268830-24-5 1-(2,4-dichlorobenzoyl)-4-tert-butoxycarbonyl-5-phenyl-1,4-diazepane 
• 1268830-25-6 1-(2-biphenoyl)-4-tert-butoxycarbonyl-5-phenyl-1,4-diazepane 
• 1268830-26-7 1-(1-naphthoyl)-4-tert-butoxycarbonyl-5-phenyl-1,4-diazepane 
• 1268830-27-8 1-cyclohexanoyl-4-tert-butoxycarbonyl-5-phenyl-1,4-diazepane 
• 1268830-28-9 1-(1-adamantanoyl)-4-tert-butoxycarbonyl-5-phenyl-1,4-diazepane 

Relevant articles and documents

Synthesis, X-ray, spectroscopic characterization, Hirshfeld surface analysis, DFT calculation and molecular docking investigations of a novel 7-phenyl-2,3,4,5-tetrahydro-1H-1,4- diazepin-5-one derivative

The tetrahydrodiazepine ring in the title molecule, C11H12N2O, adopts a twisted envelope conformation. In the crystal, inversion dimers are formed by N[sbnd]H?O hydrogen bonds which are connected into corrugated layers by

DIAZEPINE DERIVATIVES AS 5-HT2A ANTAGONISTS

Compounds of formula I: are selective 5HT2A antagonists and hence find use in treatment or prevention of a variety of CNS disorders.

Synthesis and pharmacological study of 7-phenyl-1,4-diazepin-5-one and its derivatives

We studied the synthesis and psychotropic activity of the 7-phenyl-1,4-diazepin-5-one and derivatives. It can be conclude that these products have sedative, myorelaxant and anxiolytic actions. The toxicity study demonstrated that two diazepines are non-to