Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

Base Information

• Chemical Name: Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
• CAS No.: 1157938-97-0
• Molecular Formula: C30H21F6N9O3
• Molecular Weight: 223.182
• Mol file: 1157938-97-0.mol

Synonyms:Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone;1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone;1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone;Ethanone,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-;Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-;1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

Chemical Property of Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

Chemical Property:

• Boiling Point: 387.6±52.0 °C(Predicted)
• PKA: 2.02±0.10(Predicted)
• PSA: 47.78000
• Density: 1.39±0.1 g/cm3(Predicted)
• LogP: 1.43920
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is a related compound of Isavuconazole (I777830), a triazole antifungal drug.

Technology Process of Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

There total 1 articles about Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 1-(2,5-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone,1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone 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: 73.0%

1,2,3-triazole (288-36-8) + α-chloro-2',5'-difluoroacetophenone (60468-36-2) → 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (1157938-97-0)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 10h; Temperature;

Reference yield: 89.5%

(2S)-2-bromopropanenitrile (19481-82-4,108267-45-4,130605-52-6,50529-79-8) + 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (1157938-97-0) → 3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl) butyronitrile

Guidance literature:

(2S)-2-bromopropanenitrile; With indium; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone; In tetrahydrofuran; at -10 ℃; for 10h; Reagent/catalyst; Concentration; Temperature; Solvent;

Reference yield: 84.9%

1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (1157938-97-0) + propiononitrile (107-12-0) → 3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl) butyronitrile

Guidance literature:

propiononitrile; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.166667h; Inert atmosphere;

With magnesium(II) bromide; In tetrahydrofuran; for 0.333333h;

1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone; In tetrahydrofuran; at -50 ℃; for 2h;

upstream raw materials:

1,2,3-triazole

α-chloro-2',5'-difluoroacetophenone

Downstream raw materials:

C₁₃H₁₃F₂N₃O₃

(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile

(2R,3R)-3-[3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-3-(1H-1,2,4-triazol-1-yl)]butanoic acid

3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanoic acid

Refernces