1H-Benzimidazole-5-carboxylic acid, 2-[[2-[bis[2-[[[(2-nitrophenyl)amino]thioxomethyl]amino]ethyl]amino]ethyl] amino]-, methyl ester

Base Information

• Chemical Name: 1H-Benzimidazole-5-carboxylic acid, 2-[[2-[bis[2-[[[(2-nitrophenyl)amino]thioxomethyl]amino]ethyl]amino]ethyl] amino]-, methyl ester
• CAS No.: 848408-64-0
• Molecular Formula: C29H32N10O6S2
• Molecular Weight: 680.768
• Mol file: 848408-64-0.mol

Synonyms:

Chemical Property of 1H-Benzimidazole-5-carboxylic acid, 2-[[2-[bis[2-[[[(2-nitrophenyl)amino]thioxomethyl]amino]ethyl]amino]ethyl] amino]-, methyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1H-Benzimidazole-5-carboxylic acid, 2-[[2-[bis[2-[[[(2-nitrophenyl)amino]thioxomethyl]amino]ethyl]amino]ethyl] amino]-, methyl ester

There total 5 articles about 1H-Benzimidazole-5-carboxylic acid, 2-[[2-[bis[2-[[[(2-nitrophenyl)amino]thioxomethyl]amino]ethyl]amino]ethyl] amino]-, methyl ester 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:

o-nitrophenylisothiocyanate (2719-30-4) + 2-{2-[bis-(2-amino-ethyl)-amino]-ethylamino}-3H-benzoimidazole-5-carboxylic acid methyl ester; compound with GENERIC INORGANIC NEUTRAL COMPONENT → 2-[2-(bis-{2-[3-(2-nitrophenyl)thioureido]ethyl}amino)ethylamino]-3H-benzimidazole-5-carboxylic acid methyl ester (848408-64-0)

Guidance literature:

With triethylamine; In ethanol; at 0 - 20 ℃;

DOI:10.1021/ja0443934

Reference yield:

2,2',2''-triaminotriethylamine (4097-89-6) → 2-[2-(bis-{2-[3-(2-nitrophenyl)thioureido]ethyl}amino)ethylamino]-3H-benzimidazole-5-carboxylic acid methyl ester (848408-64-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: 53 percent / tetrahydrofuran / 0 - 20 °C

2.1: imidazole / acetonitrile / 1 h / 20 °C

2.2: 88 percent / acetonitrile / 20 - 50 °C

3.1: 97 percent / yellow HgO; sulfur / ethanol / Heating

4.1: SOCl₂ / methanol / 3 h / 20 °C

5.1: 1.54 g / Et₃N / ethanol / 0 - 20 °C

With 1H-imidazole; thionyl chloride; sulfur; triethylamine; mercury(II) oxide; In tetrahydrofuran; methanol; ethanol; acetonitrile;

DOI:10.1021/ja0443934

Reference yield:

{2-[(2-amino-ethyl)-(2-tert-butoxycarbonylamino-ethyl)-amino]-ethyl}-carbamic acid tert-butyl ester (161038-11-5) → 2-[2-(bis-{2-[3-(2-nitrophenyl)thioureido]ethyl}amino)ethylamino]-3H-benzimidazole-5-carboxylic acid methyl ester (848408-64-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: imidazole / acetonitrile / 1 h / 20 °C

1.2: 88 percent / acetonitrile / 20 - 50 °C

2.1: 97 percent / yellow HgO; sulfur / ethanol / Heating

3.1: SOCl₂ / methanol / 3 h / 20 °C

4.1: 1.54 g / Et₃N / ethanol / 0 - 20 °C

With 1H-imidazole; thionyl chloride; sulfur; triethylamine; mercury(II) oxide; In methanol; ethanol; acetonitrile;

DOI:10.1021/ja0443934

upstream raw materials:

o-nitrophenylisothiocyanate

2,2',2''-triaminotriethylamine

{2-[(2-amino-ethyl)-(2-tert-butoxycarbonylamino-ethyl)-amino]-ethyl}-carbamic acid tert-butyl ester

2-{2-[bis-(2-{tert-butoxycarbonylamino}ethyl)amino]ethylamino}-1H-benzimidazole-5-carboxylic acid methyl ester

Downstream raw materials:

2-[2-(bis-{2-[3-(2-aminophenyl)thioureido]ethyl}amino)ethylamino]-3H-benzimidazole-5-carboxylic acid methyl ester