Dabigatran ethyl AcOH Salt

Base Information

• Chemical Name: Dabigatran ethyl AcOH Salt
• CAS No.: 429658-95-7
• Molecular Formula: C₂₇H₂₉N₇O₃
• Molecular Weight: 499.572
• Mol file: 429658-95-7.mol

Synonyms:Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate;N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester;C24;Dabigatran ethyl ester;Dabigatran ethyl AcOH Salt;3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER;

Chemical Property of Dabigatran ethyl AcOH Salt

Chemical Property:

• Boiling Point: 774.5 °C at 760 mmHg
• PKA: 12.92±0.50(Predicted)
• Flash Point: 422.2 °C
• PSA: 139.22000
• Density: 1.31
• LogP: 4.33750

Purity/Quality:

≥98.0% ^*data from raw suppliers

DabigatranEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Dabigatran Ethyl Ester is an impurity of Dabigatran(D100090); an antithrombotic.

Technology Process of Dabigatran ethyl AcOH Salt

There total 42 articles about Dabigatran ethyl AcOH Salt 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: 97.8%

ethyl 3-(2-(chloromethyl)-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-6-carboxamido)propanate + p-aminobenzamidine (3858-83-1) → 3-({2-[(4-carbamimidoylphenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid ethyl ester (429658-95-7)

Guidance literature:

ethyl 3-(2-(chloromethyl)-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-6-carboxamido)propanate; With potassium carbonate; In ethanol; at 0 ℃;

p-aminobenzamidine; In ethanol; Temperature; Solvent; Reagent/catalyst;

Reference yield: 96.9%

ethyl N-[(2-[(p-[ethoxyimidoyl]phenyl)amino]methyl)-1-methyl-1H-benzimidazole-5-carbonyl]-N-(2-pyridyl)-3-aminopropionate hydrochloride → 3-({2-[(4-carbamimidoylphenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid ethyl ester (429658-95-7)

Guidance literature:

With ammonia; In ethanol; at 0 - 20 ℃; for 8h;

Reference yield: 96.61%

3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propionic acid ethyl ester (211915-84-3) → 3-({2-[(4-carbamimidoylphenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid ethyl ester (429658-95-7)

Guidance literature:

3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propionic acid ethyl ester; With hydrogenchloride; In ethanol; at 35 - 42 ℃;

With ammonium carbonate; ammonia; In ethanol; at 0 - 32 ℃;

upstream raw materials:

1-methyl-2-[N-[4-(1,2,4-oxadiazol-5-one-3-yl)phenyl]-amino-methyl]-benzimidazol-5-yl-carboxylic acid N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide

BrH*C₂₇H₂₆N₆O₃

(4-cyanophenyl)glycine

4-Aminobenzonitrile

Downstream raw materials:

3-[[[2-[[[4-[amino[[[(hexyloxy)carbonyl]amino]methyl]]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propionic acid