3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid {2-methoxy-4-[(E)-2-methoxycarbonylvinyl]phenyl} ester

Base Information

• Chemical Name: 3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid {2-methoxy-4-[(E)-2-methoxycarbonylvinyl]phenyl} ester
• CAS No.: 1419178-59-8
• Molecular Formula: C₄₃H₄₇N₇O₈
• Molecular Weight: 789.888
• Mol file: 1419178-59-8.mol

Synonyms:

Chemical Property of 3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid {2-methoxy-4-[(E)-2-methoxycarbonylvinyl]phenyl} ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid {2-methoxy-4-[(E)-2-methoxycarbonylvinyl]phenyl} ester

There total 3 articles about 3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid {2-methoxy-4-[(E)-2-methoxycarbonylvinyl]phenyl} 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: 66.0%

3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}-phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid (1415506-19-2,212321-78-3) + Methyl ferulate (2309-07-1) → 3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid {2-methoxy-4-[(E)-2-methoxycarbonylvinyl]phenyl} ester (1419178-59-8,1428422-80-3)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 10.5h;

DOI:10.1016/j.bmcl.2013.07.065

Reference yield:

3-({2-[(4-carbamimidoyl-phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)-propionic acid ethyl ester dihydrochloride → 3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid {2-methoxy-4-[(E)-2-methoxycarbonylvinyl]phenyl} ester (1419178-59-8,1428422-80-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / tetrahydrofuran; water

2: sodium hydroxide; water / ethanol

3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 10.5 h / 0 - 20 °C

With dmap; water; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2013.07.065

Reference yield:

n-hexyl chloroformate (6092-54-2) → 3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid {2-methoxy-4-[(E)-2-methoxycarbonylvinyl]phenyl} ester (1419178-59-8,1428422-80-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / tetrahydrofuran; water

2: sodium hydroxide; water / ethanol

3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 10.5 h / 0 - 20 °C

With dmap; water; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2013.07.065

upstream raw materials:

3-({2-[(4-{amino-[(E)-hexyloxycarbonylimino]methyl}-phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid

Methyl ferulate

n-hexyl chloroformate