C₄₀H₄₇N₉O₅

Base Information

• Chemical Name: C₄₀H₄₇N₉O₅
• CAS No.: 1415901-76-6
• Molecular Formula: C₄₀H₄₇N₉O₅
• Molecular Weight: 733.87
• Mol file: 1415901-76-6.mol

Synonyms:

Chemical Property of C₄₀H₄₇N₉O₅

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₄₀H₄₇N₉O₅

There total 3 articles about C₄₀H₄₇N₉O₅ 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: 66.8%

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) + 2-Pyrazinemethanol,3,5,6-trimethyl (75907-74-3) → C40H47N9O5 (1415901-76-6,1416446-28-0)

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.ejmech.2012.09.016

Reference yield:

n-hexyl chloroformate (6092-54-2) → C40H47N9O5 (1415901-76-6,1416446-28-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / tetrahydrofuran; water / 0.33 h / 20 °C

1.2: 5 h / 20 °C

2.1: sodium hydroxide / water; ethanol / 5 h / 20 °C

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

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

DOI:10.1016/j.ejmech.2012.09.016

Reference yield:

dabigatran etexilate (211915-06-9) → C40H47N9O5 (1415901-76-6,1416446-28-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water; ethanol / 5 h / 20 °C

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

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

DOI:10.1016/j.ejmech.2012.09.016

upstream raw materials:

n-hexyl chloroformate

dabigatran etexilate

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

2-Pyrazinemethanol,3,5,6-trimethyl