2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-

Base Information

• Chemical Name: 2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-
• CAS No.: 39513-24-1
• Molecular Formula: C7H6N2O2
• Molecular Weight: 150.137
• ChEMBL ID: CHEMBL3218376
• DSSTox Substance ID: DTXSID901263583
• Nikkaji Number: J2.677.616C
• Mol file: 39513-24-1.mol

Synonyms:39513-24-1;1,3-Dihydro-5-hydroxy-2H-benzimidazol-2-one;2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-;5-hydroxy-1,3-dihydrobenzimidazol-2-one;5-hydroxy-1h-benzo[d]imidazol-2(3h)-one;SCHEMBL3226331;CHEMBL3218376;LVWUZNNDSSEHBV-UHFFFAOYSA-N;DTXSID901263583;AKOS017514613;AKOS022468223;AB89841;2h-benzimidazol-2-one,1,3-dihydro-5-hydroxy-;EN300-3186259;5-hydroxy-2,3-dihydro-1H-1,3-benzodiazol-2-one

Chemical Property of 2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-

Chemical Property:

• Melting Point: 260-262℃
• Boiling Point: 191.1±19.0 °C(Predicted)
• PKA: 10.42±0.20(Predicted)
• PSA: 68.88000
• Density: 1.422±0.06 g/cm3(Predicted)
• LogP: 0.56180
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

98%Min ^*data from raw suppliers

5-Hydroxy-1,3-dihydro-benzoimidazol-2-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)NC(=O)N2

Technology Process of 2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-

There total 2 articles about 2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy- 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: 18.0%

benzoimidazole (51-17-2,79351-71-6) + lead(IV) tetraacetate (546-67-8) → 1,3-dihydro-2H-benzimidazol-2-one (615-16-7) + 5-hydroxybenzimidazol-2(3H)-one (39513-24-1) + N,N'-(o-phenylene)di(acetamide) (2050-85-3)

Guidance literature:

With acetic acid;

Reference yield:

benzoimidazole (51-17-2,79351-71-6) → 1,3-dihydro-2H-benzimidazol-2-one (615-16-7) + 5-hydroxybenzimidazol-2(3H)-one (39513-24-1)

Guidance literature:

With lead(IV) acetate; acetic acid;

Reference yield: 52.0%

5-hydroxybenzimidazol-2(3H)-one (39513-24-1) + 3,5-dichloro-4-fluoro-nitrobenzene (3107-19-5) → C13H7Cl2N3O4

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 1h;

upstream raw materials:

benzoimidazole

lead(IV) tetraacetate

Downstream raw materials:

C₁₃H₈FN₃O₄

5-(3-(4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl)propoxy)-1H-benzo[d]imidazol-2(3H)-one

5-(4-(4-(2,3-dichlorophenyl)piperidin-1-yl)butoxy)-1H-benzo[d]imidazol-2(3H)-one

5-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propoxy)-1H-benzo[d]imidazol-2(3H)-one

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