1-ethyl-1H-benzimidazole-2-sulfonic acid

Base Information

• Chemical Name: 1-ethyl-1H-benzimidazole-2-sulfonic acid
• CAS No.: 90331-19-4
• Molecular Formula: C₉H₁₀N₂O₃S
• Molecular Weight: 226.256
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00378256
• ChEMBL ID: CHEMBL1529423
• Mol file: 90331-19-4.mol

Synonyms:90331-19-4;1-ethyl-1H-benzimidazole-2-sulfonic acid;1-ethylbenzimidazole-2-sulfonic acid;1-Ethyl-1H-benzoimidazole-2-sulfonic acid;MLS000716228;1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid;SMR000277745;1-ethyl-1H-benzo[d]imidazole-2-sulfonic acid;1-Aethyl-2-benzimidazolsulfonsaeure;SCHEMBL1520616;CHEMBL1529423;BDBM63418;cid_2772526;DTXSID00378256;HMS2749J05;1-ethyl-2-benzimidazolesulfonic acid;MFCD00458807;STL288028;AKOS000275325;LS-05785;1-ethyl-1H-benzo[d]imidazole-2-sulfonicacid;BB 0219604;EN300-36572;A916553;Z57085735;F0783-0063

Chemical Property of 1-ethyl-1H-benzimidazole-2-sulfonic acid

Chemical Property:

• PSA: 80.57000
• LogP: 2.38370
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.04121336
• Heavy Atom Count: 15
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

1-Ethyl-1H-benzoimidazole-2-sulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2N=C1S(=O)(=O)O

Technology Process of 1-ethyl-1H-benzimidazole-2-sulfonic acid

There total 6 articles about 1-ethyl-1H-benzimidazole-2-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: 87.0%

diethyl sulfate (64-67-5) + 1H-benzimidazole-2-sulfonic acid (40828-54-4) → 1-ethyl-1H-benzimidazole-2-sulfonic acid (90331-19-4)

Guidance literature:

With potassium hydroxide; at 50 ℃; for 4h;

DOI:10.1007/s10593-006-0112-4

Reference yield:

1-ethyl-1H-benzo[d]imidazole-2-thiol (39573-31-4) → 1-ethyl-1H-benzimidazole-2-sulfonic acid (90331-19-4)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In water; 1) ice-cooling, 2) standing overnight;

DOI:10.1007/BF00472263

Reference yield:

benzoimidazole (51-17-2,79351-71-6) → 1-ethyl-1H-benzimidazole-2-sulfonic acid (90331-19-4)

Guidance literature:

Multi-step reaction with 3 steps

1: S-powder / 240 - 260 °C

2: NaOH, 30percent H₂O₂ / H₂O

3: 86.3 percent / NaOH / aq. ethanol / 1 h

With sodium hydroxide; dihydrogen peroxide; sulfur; In ethanol; water;

DOI:10.1007/BF00472263

upstream raw materials:

diethyl sulfate

1H-benzimidazole-2-sulfonic acid

1-ethyl-1H-benzo[d]imidazole-2-thiol

benzoimidazole

Downstream raw materials:

1-ethyl-N-phenyl-1H-benzo[d]imidazol-2-amine

2-amino-1-ethyl-1H-benzimidazole

1-Ethylbenzimidazole

1-ethyl-1H-benzo[d]imidazole-2(3H)-thione

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