Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate

Base Information

Chemical Name:Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate
CAS No.:1245622-87-0
Molecular Formula:C₂₃H₂₁ClF₄N₄O₅
Molecular Weight:544.89
Hs Code.:

Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate

Synonyms:Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate

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Chemical Property of Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate

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Technology Process of Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate

There total 6 articles about Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate 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: 63.0%

: 959140-61-5
{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

: 1216872-65-9
methyl 3-amino-3-(2-fluorophenyl)propionate hydrochloride

: 1245622-87-0
Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate

Guidance literature:: {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; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

methyl 3-amino-3-(2-fluorophenyl)propionate hydrochloride; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

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

: 1245622-87-0
Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate

Guidance literature:: Multi-step reaction with 4 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 / 0.17 h / 20 °C

4.2: 16 h / 20 °C

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

Reference yield:

: 1228650-24-5
5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2,2-dihydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

: 1245622-87-0
Methyl (3RS)-3-[({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-(2-fluorophenyl)propionate

Guidance literature:: Multi-step reaction with 5 steps

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

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

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

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

4.2: pH 1 - 2

5.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 0.17 h / 20 °C

5.2: 16 h / 20 °C

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