2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

Base Information

Chemical Name:2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide
CAS No.:1268635-47-7
Molecular Formula:C₂₃H₁₈ClF₆N₅O₃
Molecular Weight:561.871
Hs Code.:

2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

Synonyms:2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

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Chemical Property of 2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

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Technology Process of 2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

There total 9 articles about 2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}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: 81.0%

: 1245940-76-4
(2R)-2-[({3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide

: 1268635-47-7
2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

Guidance literature:: With pyridine; trifluoroacetic anhydride; In tetrahydrofuran; at 20 ℃;

Reference yield:

: 1245940-77-5
(2R)-2-[({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanoic acid

: 1268635-47-7
2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

Guidance literature:: Multi-step reaction with 2 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 0.5 h

1.2: 0.33 h / 20 °C

2.1: trifluoroacetic anhydride; pyridine / tetrahydrofuran / 20 °C

With pyridine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic anhydride; In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield:

: 1228650-25-6
5-(4-chlorophenyl)-4-[⁽²⁸⁾-3,3,3-trifluoro-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

: 1268635-47-7
2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{(1R)-1-cyano-1-[3-(trifluoromethyl)phenyl]ethyl}acetamide

Guidance literature:: Multi-step reaction with 6 steps

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

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

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

3.2: pH 1 - 2

4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 0.33 h / 20 °C

4.2: 1 h / 20 °C

5.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 0.5 h

5.2: 0.33 h / 20 °C

6.1: trifluoroacetic anhydride; pyridine / tetrahydrofuran / 20 °C

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