5-Nitro-2-(2-pyridinyl)-1H-benzimidazole

Base Information

• Chemical Name: 5-Nitro-2-(2-pyridinyl)-1H-benzimidazole
• CAS No.: 51759-60-5
• Molecular Formula: C12H8N4O2
• Molecular Weight: 240.221
• European Community (EC) Number: 666-875-1
• NSC Number: 308788
• UNII: VY9H3X5NR2
• DSSTox Substance ID: DTXSID50966061
• Wikidata: Q82948405
• ChEMBL ID: CHEMBL380979
• Mol file: 51759-60-5.mol

Synonyms:51759-60-5;5-Nitro-2-(2-pyridinyl)-1H-benzimidazole;5-nitro-2-(pyridin-2-yl)-1H-1,3-benzodiazole;6-nitro-2-pyridin-2-yl-1H-benzimidazole;CHEMBL380979;1H-Benzimidazole, 5-nitro-2-(2-pyridinyl)-;NSC-308788;6-Nitro-2-(pyridin-2-yl)-1H-benzo[d]imidazole;1H-Benzimidazole, 6-nitro-2-(2-pyridinyl)-;5-nitro-2-(2-pyridyl)benzimidazole;NSC308788;NSC 308788;VY9H3X5NR2;CBDivE_012268;MLS001012375;SCHEMBL10350425;DTXSID50966061;BDBM50180751;STK750379;AKOS001619140;NCGC00246484-01;SMR000426900;5-Nitro-2-pyridin-2-yl-1H-benzoimidazole;6-Nitro-2-(2-pyridinyl)-1H-benzimidazole;5-nitro-2-(pyridin-2-yl)-1H-benzimidazole;6-NITRO-2-(2-PYRIDYL)BENZIMIDAZOLE;6-Nitro-2-(pyridin-2-yl)-1H-benzimidazole;CS-0269400;EU-0005278;EN300-72835;5-nitro-2-pyridin-2-yl-1(3)H-benzoimidazole;5-nitro-2-(pyridin-2-yl)-1H-benzo[d]imidazole;SR-01000080711;SR-01000080711-1

Chemical Property of 5-Nitro-2-(2-pyridinyl)-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 8.34E-11mmHg at 25°C
• Boiling Point: 517.3°C at 760 mmHg
• Flash Point: 266.6°C
• Density: 1.451g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 240.06472551
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Technology Process of 5-Nitro-2-(2-pyridinyl)-1H-benzimidazole

There total 12 articles about 5-Nitro-2-(2-pyridinyl)-1H-benzimidazole 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: 99.6%

2-(2'-pyridyl)benzimidazole (1137-68-4) → 5-nitro-2-(pyridin-2-yl)-1H-benzo[d]imidazole (51759-60-5)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 2h;

DOI:10.1007/BF02269539

Reference yield: 92.0%

pyridine-2-carbaldehyde (1121-60-4) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 5-nitro-2-(pyridin-2-yl)-1H-benzo[d]imidazole (51759-60-5)

Guidance literature:

With sodium dithionate; In N,N-dimethyl-formamide; for 3h; Reflux;

DOI:10.2174/1570180815666181004102209

Reference yield: 81.0%

sodium hydroxy(pyridin-2-yl)methanesulfonate (33345-75-4) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 5-nitro-2-(pyridin-2-yl)-1H-benzo[d]imidazole (51759-60-5)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃;

DOI:10.1007/s00044-012-0375-5

upstream raw materials:

2-Cyanopyridine

3-nitro-aniline

NSC₃₅₆₇₈₁

2-(2'-pyridyl)benzimidazole

Downstream raw materials:

5-Nitro-2-pyridin-2-yl-1-(2-pyridin-2-yl-ethyl)-1H-benzoimidazole

NSC₃₅₆₇₈₁

5-amino-2-(α-pyridyl)benzimidazoles