5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium

Base Information

• Chemical Name: 5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium
• CAS No.: 70035-91-5
• Molecular Formula: C₁₃H₁₀N₂O
• Molecular Weight: 210.235
• NSC Number: 320589
• DSSTox Substance ID: DTXSID50317796
• Mol file: 70035-91-5.mol

Synonyms:70035-91-5;NSC320589;5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium;DTXSID50317796;NSC-320589

Chemical Property of 5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium

Chemical Property:

• Vapor Pressure: 1.49E-05mmHg at 25°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.079312947
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=CC=CC=C2N=[N+](C3=CC=CC=C31)[O-]

Technology Process of 5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium

There total 2 articles about 5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium 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:

1-nitro-2-[(2-nitrophenyl)methyl]benzene (21540-57-8) → 2,2'-methylenedianiline (6582-52-1) + Dibenzo-1,2-diazepin 5-oxide (70035-91-5)

Guidance literature:

In ethanol; preparative electrolysis with N(n-C₄H₉)4PF₆ as supporting electrolyte.;

Reference yield:

→ Dibenzo-1,2-diazepin 5-oxide (70035-91-5)

Guidance literature:

Dibenzo-(c,f)-(1,2)-diazepin - Stoffwechselprodukt;

upstream raw materials:

1-nitro-2-[(2-nitrophenyl)methyl]benzene