5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole

Base Information

• Chemical Name: 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole
• CAS No.: 172152-53-3
• Molecular Formula: C11H9N3S
• Molecular Weight: 215.279
• Hs Code.: 2933990090
• Mol file: 172152-53-3.mol

Synonyms:5-(1H-pyrrole-1-yl)-2-mercaptobenzimidazole; 5-(1H-pyrrol-1-yl)-2-mercaptobenzimidazole; I14-8300; 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol;

Chemical Property of 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole

Chemical Property:

• Boiling Point: 381.7±44.0 °C(Predicted)
• PKA: 9.61±0.30(Predicted)
• PSA: 72.41000
• Density: 1.40
• LogP: 2.64230
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole

There total 2 articles about 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole 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: 85.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 5-amino-2-mercaptobenzimidazole (2818-66-8) → 5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol (172152-53-3)

Guidance literature:

With sodium acetate; In acetic acid; at 50 ℃; for 4h; Product distribution / selectivity;

Reference yield:

5-nitro-2-mercaptobenzimidazole (6325-91-3) → 5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol (172152-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; iron / water; ethanol / Reflux

2: acetic acid

With hydrogenchloride; iron; acetic acid; In ethanol; water;

DOI:10.14233/ajchem.2013.14818

Reference yield: 93.6%

5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol (172152-53-3) + 2-chloromethyl-4-methoxy-3-methylpyridine hydrochloride (86604-74-2) → 2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole (172152-35-1)

Guidance literature:

With sodium hydroxide; In methanol; at 20 - 40 ℃; Temperature; Reagent/catalyst; Solvent;

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

5-amino-2-mercaptobenzimidazole

5-nitro-2-mercaptobenzimidazole

Downstream raw materials:

2-(((4-methoxy-3-methylpyridin-2-yl)methyl)thio)-5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazole

Refernces

• 1、 -. "PROCESS FOR PREPARING INTERMEDIATE COMPOUND FOR SYNTHESIZING AN ANTIULCERANT". Page/Page column 3. . Retrieved 2011/04/18.