5177-39-9

Basic information

• Product Name: 7-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
• Synonyms: 7-Chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione;7-Chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
• CAS NO: 5177-39-9
• Molecular Formula: C₉H₇ClN₂O₂
• Molecular Weight: 210.62
• Mol File: 5177-39-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 572 °C at 760 mmHg
• Flash Point: 299.7 °C
• Appearance: /
• Density: 1.394 g/cm³
• Vapor Pressure: 4.3E-13mmHg at 25°C
• Refractive Index: 1.58
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 7-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE(5177-39-9)
• EPA Substance Registry System: 7-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE(5177-39-9)

Safety Data

• Hazardous Substances Data: 5177-39-9(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 12, p. 1323, 1975 DOI: 10.1002/jhet.5570120647

InChI:InChI=1/C9H7ClN2O2/c10-5-1-2-7-6(3-5)9(14)11-4-8(13)12-7/h1-3H,4H2,(H,11,14)(H,12,13)

Upstream product

• 4743-17-3 5-Chloroisatoic anhydride 
• 5680-79-5 glycine ethyl ester hydrochloride 
• 20829-96-3 5-chloro-1H-benzo[d][1,3]oxazine-2,4-dione 
• 56-40-6 glycine 
• 58483-83-3 o-Amino-5-chlor-hippursaeureethylester 
• 37429-97-3 6-chloro-1,2,3-benzotriazin-4(3H)-one 

Downstream Products

• 57756-37-3 7-chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine 

Relevant articles and documents

BENZODIAZEPINE DERIVATIVE AND METHOD OF PRODUCING THE SAME

In a benzodiazepine derivative and a method of producing the derivative, isatoic anhydride or 5-chloroisatoic anhydride is reacted with amino acid ester hydrochloride for conducting a simple cyclization to obtain a produce with a low percentage of by-prod

A novel one step approach to the synthesis of 3H-1,4-benzodiazepin-(1H,4H)-2,5-diones from 1,2,3-benzotriazin-4-(3H)-one

1,2,3-Benzotriazin-4-(3H)-one(3) and its 6-chloro derivative (4) on thermal condensation with α-amino acids yielded 3H-1,4-benzodiazepin-(1H,4H)-2,5-diones(7-12) in moderate to good yield. The cyclocondensation is believed to proceed through the formation of an iminoketene intermediate (5).

New Synthesis of Diazepam

An efficient preparation of 7-chloro-1-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione from 5-chloro-N-methylisatoic anhydride and glycine has been devised, and from it, by the action of phenylmagnesium chloride on its N-acetyl-derivative followed by treatment with hydroxylamine and cleavage of the resulting desacetyl oxime with sodium bisulfite, diazepam has been synthesized.The overall yield is about 50percent from 5-chloroisatoic anhydride.