N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4- triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide

Base Information

• Chemical Name: N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4- triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide
• CAS No.: 2225819-06-5
• Molecular Formula: C₂₁H₁₈ClF₅N₄O₄
• Molecular Weight: 520.843

Synonyms:

Chemical Property of N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4- triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide

Chemical Property:

• Density: 1.52±0.1 g/cm3(Predicted)

Purity/Quality:

99%, ^*data from raw suppliers

BAY-2402234 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4- triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide

There total 10 articles about N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4- triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide 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: 40.0%

4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide + 4-ethyl-5-(hydroxymethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one → N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4- triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide (2225819-06-5)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 110 ℃; for 17h; Sealed tube; Inert atmosphere;

Reference yield:

C26H26ClF5N4O5 → N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4- triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide (2225819-06-5)

Guidance literature:

With phosphoric acid; In ethanol; at 57 ℃; for 16h;

Reference yield:

2-chloro-6-fluoroaniline (363-51-9) + 4-[4-ethyl-5-oxo-3-(tetrahydropyran-2-yloxymethyl)-1,2,4-triazol-1-yl]-5-fluoro-2-[(1S)2,2,2-trifluoro-1-methylethoxy]benzoic acid → N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4- triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide (2225819-06-5)

Guidance literature:

2-chloro-6-fluoroaniline; 4-[4-ethyl-5-oxo-3-(tetrahydropyran-2-yloxymethyl)-1,2,4-triazol-1-yl]-5-fluoro-2-[(1S)2,2,2-trifluoro-1-methylethoxy]benzoic acid; With pyridine; trichlorophosphate; In acetonitrile; at 0 - 22 ℃; for 1.16667h;

With phosphoric acid; In methanol; at 60 ℃; for 2h;

upstream raw materials:

4-bromo-2,5-difluoro-benzonitrile

2-chloro-6-fluoroaniline

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