3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole

Base Information

Chemical Name:3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole
CAS No.:1197357-53-1
Molecular Formula:C₂₆H₁₉F₃N₄O₂
Molecular Weight:476.458
Hs Code.:

Synonyms:3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole

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Chemical Property of 3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole

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Technology Process of 3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole

There total 6 articles about 3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole 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: 67.0%

: 1197410-82-4
3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)benzoic acid

: 87691-89-2
4(1,2-benzisoxazol-3-yl)piperazine

: 1197357-53-1
3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole

Guidance literature:: With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;

Reference yield:

: 1945-84-2
2-ethynylpyridine

: 1197357-53-1
3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole

Guidance literature:: Multi-step reaction with 3 steps

1.1: copper(l) iodide; triethylamine / bis-triphenylphosphine-palladium(II) chloride / toluene / 6 h / 100 °C

2.1: water; sodium hydroxide / tetrahydrofuran; methanol / 20 °C

2.2: pH 1

3.1: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 20 °C / Inert atmosphere

With copper(l) iodide; 1-hydroxy-7-aza-benzotriazole; water; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; sodium hydroxide; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; methanol; dichloromethane; toluene;

Reference yield:

: 125483-00-3
3-amino-4-(trifluoromethyl)benzoic acid

: 1197357-53-1
3-(4-{[3-(pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]carbonyl}piperazin-1-yl)-1,2-benzisoxazole

Guidance literature:: Multi-step reaction with 5 steps

1.1: hydrogenchloride / water / 10 h / 70 °C

2.1: hydrogenchloride; sodium nitrite / water / 0.58 h / -5 - 0 °C

2.2: -5 - 90 °C

3.1: copper(l) iodide; triethylamine / bis-triphenylphosphine-palladium(II) chloride / toluene / 6 h / 100 °C

4.1: water; sodium hydroxide / tetrahydrofuran; methanol / 20 °C

4.2: pH 1

5.1: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 20 °C / Inert atmosphere

With hydrogenchloride; copper(l) iodide; 1-hydroxy-7-aza-benzotriazole; water; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; sodium hydroxide; sodium nitrite; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; methanol; dichloromethane; water; toluene;