4-(4-((2R,3R)-3-(3-carbaMiMidoylbenzyl)-4-Methoxy-4-oxobutan-2-ylcarbaMoyl)phenyl)pyridine 1-oxide (Hydrochloride)

Base Information

• Chemical Name: 4-(4-((2R,3R)-3-(3-carbaMiMidoylbenzyl)-4-Methoxy-4-oxobutan-2-ylcarbaMoyl)phenyl)pyridine 1-oxide (Hydrochloride)
• CAS No.: 409081-12-5
• Molecular Formula: C25H26N4O4.ClH
• Molecular Weight: 482.95928
• Mol file: 409081-12-5.mol

Synonyms:UNII-WL9J31M2HI;Methyl (2R,3R)-2-(3-amidinobenzyl)-3-((4-(1-oxido-4-pyridinyl)benzoyl)amino)butanoate hydrochloride;Otamixaban hydrochloride [WHO-DD];Otamixaban hydrochloride;4-(4-((2R,3R)-3-(3-carbamimidoylbenzyl)-4-methoxy-4-oxobutan-2-ylcarbamoyl)phenyl)pyridine 1-oxide hydrochloride;

Chemical Property of 4-(4-((2R,3R)-3-(3-carbaMiMidoylbenzyl)-4-Methoxy-4-oxobutan-2-ylcarbaMoyl)phenyl)pyridine 1-oxide (Hydrochloride)

Chemical Property:

• PSA: 130.73000
• LogP: 5.20930

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-((2R,3R)-3-(3-carbaMiMidoylbenzyl)-4-Methoxy-4-oxobutan-2-ylcarbaMoyl)phenyl)pyridine 1-oxide (Hydrochloride)

There total 5 articles about 4-(4-((2R,3R)-3-(3-carbaMiMidoylbenzyl)-4-Methoxy-4-oxobutan-2-ylcarbaMoyl)phenyl)pyridine 1-oxide (Hydrochloride) 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:

(2R,3R)-2-(3-Cyano-benzyl)-3-[4-(1-oxy-pyridin-4-yl)-benzoylamino]-butyric acid methyl ester (193153-02-5) → (2R,3R)-2-(3-carbamimidoyl-benzyl)-3-[4-(1-oxy-pyridin-4-yl)benzoylamino]-butyric acid methyl ester hydrochloride (409081-12-5)

Guidance literature:

(2R,3R)-2-(3-Cyano-benzyl)-3-[4-(1-oxy-pyridin-4-yl)-benzoylamino]-butyric acid methyl ester; With hydrogenchloride; In methanol; at -5 - 0 ℃; for 16h; under 100 Torr; Sealed tube;

With ammonia; In methanol; at 0 - 20 ℃; pH=8 - 10;

Reference yield:

m-(bromomethyl)benzonitrile (28188-41-2) → (2R,3R)-2-(3-carbamimidoyl-benzyl)-3-[4-(1-oxy-pyridin-4-yl)benzoylamino]-butyric acid methyl ester hydrochloride (409081-12-5)

Guidance literature:

Multi-step reaction with 4 steps

1.1: lithium hexamethyldisilazane / water; tetrahydrofuran / 1.25 h / -20 °C

1.2: 1.17 h / -20 °C

1.3: 45 - 65 °C / 150.01 - 174.77 Torr / Distillation

2.1: sodium carbonate / dichloromethane; water

2.2: 20 °C

3.1: magnesium bis(monoperoxyphthalate)hexahydrate / dichloromethane; water / 5 h

4.1: hydrogenchloride / methanol / 16 h / -5 - 0 °C / 100 Torr / Sealed tube

4.2: 0 - 20 °C / pH 8 - 10

With hydrogenchloride; magnesium bis(monoperoxyphthalate)hexahydrate; sodium carbonate; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; dichloromethane; water;

Reference yield:

C7H6O2*C13H16N2O2 (1263065-69-5) → (2R,3R)-2-(3-carbamimidoyl-benzyl)-3-[4-(1-oxy-pyridin-4-yl)benzoylamino]-butyric acid methyl ester hydrochloride (409081-12-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium carbonate / dichloromethane; water

1.2: 20 °C

2.1: magnesium bis(monoperoxyphthalate)hexahydrate / dichloromethane; water / 5 h

3.1: hydrogenchloride / methanol / 16 h / -5 - 0 °C / 100 Torr / Sealed tube

3.2: 0 - 20 °C / pH 8 - 10

With hydrogenchloride; magnesium bis(monoperoxyphthalate)hexahydrate; sodium carbonate; In methanol; dichloromethane; water;

upstream raw materials:

m-(bromomethyl)benzonitrile

C₇H₆O₂*C₁₃H₁₆N₂O₂

(2R,3R)-2-(3-Cyano-benzyl)-3-(4-pyridin-4-yl-benzoylamino)-butyric acid methyl ester

(2R,3R)-2-(3-Cyano-benzyl)-3-[4-(1-oxy-pyridin-4-yl)-benzoylamino]-butyric acid methyl ester