2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide

Base Information

• Chemical Name: 2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide
• CAS No.: 1268635-35-3
• Molecular Formula: C₂₇H₂₀ClF₆N₅O₃
• Molecular Weight: 611.931

Synonyms:2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide

Chemical Property of 2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide

There total 8 articles about 2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide 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: 89.0%

{3-(4-chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetic acid (1245622-75-6) + 1-(6-Methoxypyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]methanamine hydrochloride (1268635-98-8) → 2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide (1268635-35-3)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield:

methyl {3-(4-chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate (1245622-74-5) → 2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide (1268635-35-3)

Guidance literature:

Multi-step reaction with 2 steps

1: water; lithium hydroxide / methanol / 1 h / 20 °C

2: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 1 h / 20 °C

With water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; lithium hydroxide; In methanol; N,N-dimethyl-formamide;

Reference yield:

4-chlorobenzoic acid hydrazide (536-40-3) → 2-{3-(4-Chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(6-methoxypyridin-2-yl)[3-(trifluoromethyl)phenyl]methyl}acetamide (1268635-35-3)

Guidance literature:

Multi-step reaction with 9 steps

1.1: tetrahydrofuran / 2 h / 50 °C

2.1: sodium hydroxide; water / Reflux

2.2: pH 1

3.1: pyridine / 35 °C / Inert atmosphere

3.2: 70 °C

4.1: sodium tetrahydroborate; methanol / water; methanol / Cooling with ice

5.1: potassium carbonate; potassium iodide / acetonitrile / 1 h / Reflux

6.1: chiral selector poly(N-methacryloyl-L-isoleucine-3-pentylamide)-based silica gel column / ethyl acetate; 2-Methylpentane / 24 °C / Resolution of racemate

7.1: dmap; trifluoromethylsulfonic anhydride; pyridine / acetonitrile / 12 h / 20 °C

8.1: water; lithium hydroxide / methanol / 1 h / 20 °C

9.1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 1 h / 20 °C

With pyridine; methanol; dmap; sodium tetrahydroborate; trifluoromethylsulfonic anhydride; water; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; potassium iodide; sodium hydroxide; lithium hydroxide; In tetrahydrofuran; methanol; 2-Methylpentane; water; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

methyl {3-(4-chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

4-chlorobenzoic acid hydrazide

[3-(4-chlorophenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid

5-(4-chlorophenyl)-4-[⁽²⁸⁾-3,3,3-trifluoro-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

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