N³-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide

Base Information

• Chemical Name: N³-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide
• CAS No.: 1366062-01-2
• Molecular Formula: C₂₅H₂₃ClF₆N₆O₅
• Molecular Weight: 636.938

Synonyms:N³-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide

Chemical Property of N³-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide

Chemical Property:

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N³-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide

There total 11 articles about N³-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide 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:

{3-(4-chlorophenyl)-5-oxo-4-[(2,S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetic acid (959140-61-5) + N3-{amino[3-(trifluoromethyl)-phenyl]acetyl}-beta-alaninamide hydrochloride (1366063-24-2) → N3-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide (1366062-01-2)

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 0.333333h;

Reference yield:

4-chlorobenzoic acid hydrazide (536-40-3) → N3-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide (1366062-01-2)

Guidance literature:

Multi-step reaction with 8 steps

1.1: tetrahydrofuran / 2 h / 50 °C

2.1: water; sodium hydroxide / Reflux

3.1: pyridine / 0.5 h / 35 °C / Inert atmosphere

3.2: 70 °C

4.1: methanol; sodium tetrahydroborate / 1.5 h / Cooling with ice

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

6.1: chiral silica gel phase based on the selector poly(N-methacryloyl-L-isoleucine-3-pentylamide, 430 mm×40 mm / 2-Methylpentane; ethyl acetate / Resolution of racemate

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

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

With pyridine; methanol; sodium tetrahydroborate; 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; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

ethyl N-({2-[(4-chlorophenyl)carbonyl]hydrazinyl}carbonyl)glycinate (1228650-21-2) → N3-{[({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][3-(trifluoromethyl)phenyl]acetyl}-beta-alaninamide (1366062-01-2)

Guidance literature:

Multi-step reaction with 7 steps

1.1: water; sodium hydroxide / Reflux

2.1: pyridine / 0.5 h / 35 °C / Inert atmosphere

2.2: 70 °C

3.1: methanol; sodium tetrahydroborate / 1.5 h / Cooling with ice

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

5.1: chiral silica gel phase based on the selector poly(N-methacryloyl-L-isoleucine-3-pentylamide, 430 mm×40 mm / 2-Methylpentane; ethyl acetate / Resolution of racemate

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

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

With pyridine; methanol; sodium tetrahydroborate; 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 methanol; 2-Methylpentane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

4-chlorobenzoic acid hydrazide

ethyl N-({2-[(4-chlorophenyl)carbonyl]hydrazinyl}carbonyl)glycinate

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

methyl {3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

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