7-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

Base Information

• Chemical Name: 7-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
• CAS No.: 195986-74-4
• Molecular Formula: C9H7 Br N2 O2
• Molecular Weight: 253.05
• Hs Code.: 2933990090
• European Community (EC) Number: 672-423-4
• DSSTox Substance ID: DTXSID40377763
• Nikkaji Number: J3.547.019K
• Wikidata: Q82167112
• Mol file: 195986-74-4.mol

Synonyms:7-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione;195986-74-4;7-Bromo-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-BROMO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-2,5-DIONE;7-bromo-3,4-dihydro-1,4-benzodiazepin-2,5-dione;SCHEMBL389879;DTXSID40377763;VHA98674;MFCD01317799;AKOS015961750;AB08588;AC-6545;AS-38540;A4294;CS-0085141;FT-0747511;J3.547.019K;EN300-7375730;Z57234678

Chemical Property of 7-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

Chemical Property:

• Vapor Pressure: 1.72E-13mmHg at 25°C
• Refractive Index: 1.599
• Boiling Point: 581°Cat760mmHg
• Flash Point: 305.2°C
• PSA: 58.20000
• Density: 1.642g/cm³
• LogP: 1.59780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 253.96909
• Heavy Atom Count: 14
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

7-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(=O)N1

Technology Process of 7-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

There total 3 articles about 7-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

1,4-benzodiazepine-2,5-dione (5118-94-5) → 2,3,4,5-Tetrahydro-7-bromo-1H-1,4-benzodiazepine-2,5-dione (195986-74-4)

Guidance literature:

With bromine; In acetic acid; at 20 ℃; for 3h;

Reference yield: 75.0%

5-bromoisatoic anhydride (4692-98-2) + glycine (56-40-6,18875-39-3,25718-94-9) → 2,3,4,5-Tetrahydro-7-bromo-1H-1,4-benzodiazepine-2,5-dione (195986-74-4)

Guidance literature:

5-bromoisatoic anhydride; glycine; With triethylamine; In water; at 20 ℃; for 4h;

With acetic acid; at 140 ℃; for 4.5h;

Reference yield:

5-bromoisatoic anhydride (4692-98-2) + glycine ethyl ester hydrochloride (623-33-6) → 2,3,4,5-Tetrahydro-7-bromo-1H-1,4-benzodiazepine-2,5-dione (195986-74-4)

Guidance literature:

With pyridine; for 7h; Heating;

DOI:10.1021/jm990391w

upstream raw materials:

5-bromoisatoic anhydride

glycine ethyl ester hydrochloride

1,4-benzodiazepine-2,5-dione

glycine

Downstream raw materials:

7-bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

7-phenyl-1,4-benzodiazepine-2,5-dione

7-bromo-1,2,3,4-tetrahydrobenzo[e][1,4]diazepin-5-one

7-phenyl-1,4-benzodiazepin