196696-97-6

Basic information

• Product Name: N~1~-allyl-4-nitro-1,2-benzenediamine
• Synonyms: N~1~-allyl-4-nitro-1,2-benzenediamine
• CAS NO: 196696-97-6
• Molecular Formula: C9H11N3O2
• Molecular Weight: 193.20254
• Mol File: 196696-97-6.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: N~1~-allyl-4-nitro-1,2-benzenediamine(CAS DataBase Reference)
• NIST Chemistry Reference: N~1~-allyl-4-nitro-1,2-benzenediamine(196696-97-6)
• EPA Substance Registry System: N~1~-allyl-4-nitro-1,2-benzenediamine(196696-97-6)

Safety Data

• Hazardous Substances Data: 196696-97-6(Hazardous Substances Data)

Upstream product

• 7403-39-6 allyl-(2,4-dinitrophenyl)amine 
• 97-00-7 1-chloro-2,4-dinitro-benzene 

Relevant articles and documents

Synthesis and molecular docking for antiinflammatory studies of 2-(arylmethyl)-1-ethyl-1H-benzo[d]imidazol-5-amines

1-Chloro-2,4-dinitrobenzene (1) was reacted with aliphatic amines (2) in ethanol as solvent under reflux condition for 16-24 h to form N-alkyl-2,4-dinitroaniline (3). Compound 3 undergoes reduction to from N-alkyl-4-nitrobenzene-1,2-diamine (4). Compound 4 was treated with carboxylic acid (5) to offered N-(2-(alkylamino)-5-nitrophenyl)-2-arylacetamide (6) which on cyclization gave 2-(arylmethyl)-1-ethyl-5-nitro-1H-benzo[d]imidazole (7). Finally, compound 7 undergoes reduction give 2-(arylmethyl)-1-ethyl-1H-benzo[d]imidazol-5-amine (8). The synthesized compounds were characterized by using spectral analyses. The compounds synthesized were confirmed by spectral analyses. Molecular docking of 5COX with the ligand using docking server, predicted the compound to be a potential anti-inflammatory compound.