Dabigatran Etexilate iMpurity I

Base Information

• Chemical Name: Dabigatran Etexilate iMpurity I
• CAS No.: 255706-13-9
• Molecular Formula: C14H21N3O2
• Molecular Weight: 263.34
• Mol file: 255706-13-9.mol

Synonyms:Dabigatran Impurity 28;Dabigatran JPBA Impurity 4;Dabigatran Etexilate iMpurity I;Dabigatran etexilate impurity181;Hexyl N-[(4-aminophenyl)iminomethyl]carbamate;hexyl (E)-(amino(4- aminophenyl)methylene)carbamate;Carbamic acid, N-[(4-aminophenyl)iminomethyl]-, hexyl ester;Des-(ethyl 3-(N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate Dabigatran Etexilate;Hexyl ((4-aminophenyl)(imino)methyl)CarbamateQ: What is Hexyl ((4-aminophenyl)(imino)methyl)Carbamate Q: What is the CAS Number of Hexyl ((4-aminophenyl)(imino)methyl)Carbamate

Chemical Property of Dabigatran Etexilate iMpurity I

Chemical Property:

• PKA: 9.79±0.46(Predicted)
• PSA: 90.70000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 3.97250

Purity/Quality:

97% ^*data from raw suppliers

Hexyl((4-aminophenyl)(imino)methyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Des-(ethyl 3-(N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate Dabigatran Etexilate is the impurity of Dabigatran (D100090), which is a nonpeptide, direct thrombin inhibitor and is antithrombotic.

Technology Process of Dabigatran Etexilate iMpurity I

There total 1 articles about Dabigatran Etexilate iMpurity I 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:

n-hexyl chloroformate (6092-54-2) + 4-aminobenzamidine dihydrochloride (2498-50-2) → 4-{[(hexyloxy)carbonyl]carbamimidoyl}aniline (255706-13-9)

Guidance literature:

With sodium hydroxide; In dichloromethane; at 20 ℃; for 4h;

Reference yield: 85.6%

trimethyl 2-bromoorthoacetate (40070-40-4) + 4-{[(hexyloxy)carbonyl]carbamimidoyl}aniline (255706-13-9) → C19H31N3O5

Guidance literature:

With sodium hydrogencarbonate; potassium iodide; In N,N-dimethyl-formamide; at 60 ℃;

Reference yield: 80.1%

4-{[(hexyloxy)carbonyl]carbamimidoyl}aniline (255706-13-9) + 2-chloro-1,1,1-trimethoxyethane (74974-54-2) → C19H31N3O5

Guidance literature:

With sodium hydrogencarbonate; potassium iodide; In N,N-dimethyl-formamide; at 60 ℃;

upstream raw materials:

n-hexyl chloroformate

4-aminobenzamidine dihydrochloride

Downstream raw materials:

dabigatran etexilate