1H-Benzimidazole, 1-hydroxy-2-phenyl-, 3-oxide

Base Information

• Chemical Name: 1H-Benzimidazole, 1-hydroxy-2-phenyl-, 3-oxide
• CAS No.: 10066-20-3
• Molecular Formula: C13H10N2O2
• Molecular Weight: 226.235
• DSSTox Substance ID: DTXSID50397290
• Wikidata: Q82198513
• Mol file: 10066-20-3.mol

Synonyms:1H-Benzimidazole, 1-hydroxy-2-phenyl-, 3-oxide;DTXSID50397290;1-hydroxy-2-phenylbenzimidazole-3-oxide;10066-20-3

Chemical Property of 1H-Benzimidazole, 1-hydroxy-2-phenyl-, 3-oxide

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 226.074227566
• Heavy Atom Count: 17
• Complexity: 268

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2O)[O-]

Technology Process of 1H-Benzimidazole, 1-hydroxy-2-phenyl-, 3-oxide

There total 11 articles about 1H-Benzimidazole, 1-hydroxy-2-phenyl-, 3-oxide 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: 86.0%

N,α-diphenyl-α-nitrosonitrone (118717-86-5) → 1-hydroxy-2-phenylbenzimidazole N3-oxide (10066-20-3)

Guidance literature:

In dichloromethane; for 2h; Ambient temperature;

Reference yield: 72.0%

1,3-Dihydroxy-2-phenyl-3H-benzoimidazol-1-ium; chloride (130088-32-3) → 1-hydroxy-2-phenylbenzimidazole N3-oxide (10066-20-3)

Guidance literature:

With ammonium hydroxide; In ethanol; water; or sodium hydroxide;

Reference yield: 70.0%

N,α-diphenyl-α-nitrosonitrone (118717-86-5) → 2-phenylbenzo[d]oxazole (833-50-1) + 1-hydroxy-2-phenylbenzimidazole N3-oxide (10066-20-3) + 3-phenyl-4H-1,2,4-benzoxadiazine (70870-13-2)

Guidance literature:

In diethyl ether; nitromethane; 1.) -20 deg C, 70 h, 2.) r.t., 2 h;

upstream raw materials:

1,3-Dihydroxy-2-phenyl-3H-benzoimidazol-1-ium; chloride

benzofurazan oxide

N-benzylidene-4-methylaniline oxide

N,α-diphenyl-α-nitrosonitrone

Downstream raw materials:

2-phenylbenzimidazol-1-yl N,N'dioxide

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