2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid

Base Information

• Chemical Name: 2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
• CAS No.: 39513-21-8
• Molecular Formula: C₇H₆N₂O₄S
• Molecular Weight: 214.202
• DSSTox Substance ID: DTXSID301229646
• ChEMBL ID: CHEMBL4288170
• Mol file: 39513-21-8.mol

Synonyms:39513-21-8;2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid;2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid;2-Oxo-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonic acid;BAS 04053913;SCHEMBL3228204;CHEMBL4288170;DTXSID301229646;MFCD03724234;STK502773;AKOS000321342;LS-01368;BB 0240487;CS-0327464;2-Hydroxy-1H-benzo[d]imidazole-6-sulfonic acid;A918704;SR-01000317829;SR-01000317829-1;2,3-dihydro-2-oxo-1H-Benzimidazole-5-sulfonic acid;2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonic acid;2-Oxo-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonicacid;2-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulf onic acid

Chemical Property of 2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid

Chemical Property:

• PKA: -0.29±0.20(Predicted)
• Density: 1.649±0.06 g/cm3(Predicted)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 214.00482785
• Heavy Atom Count: 14
• Complexity: 347

Purity/Quality:

98%min ^*data from raw suppliers

2-Oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)O)NC(=O)N2

Technology Process of 2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid

There total 3 articles about 2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid 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:

1,3-dihydro-2H-benzimidazol-2-one (615-16-7) → 2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (39513-21-8)

Guidance literature:

With conc. sulphuric acid; sulfuric acid;

Reference yield:

→ 2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (39513-21-8)

Guidance literature:

Reference yield:

→ Benzimidazolon-5-sulfonsaeure (39513-21-8)

Guidance literature:

Aus 3,4-Diamino-benzolsulfonsaeure u. Harnstoff;

upstream raw materials:

1,3-dihydro-2H-benzimidazol-2-one

Refernces