1157938-97-0

Basic information

• Product 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
• 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;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
• CAS NO: 1157938-97-0
• Molecular Formula: C₁₀H₇F₂N₃O
• Molecular Weight: 669.5366592
• EINECS: -0
• Mol File: 1157938-97-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 387.6±52.0 °C(Predicted)
• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 2.02±0.10(Predicted)
• CAS DataBase Reference: 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 DataBase Reference)
• NIST Chemistry Reference: 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(1157938-97-0)
• EPA Substance Registry System: 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(1157938-97-0)

Safety Data

• Hazardous Substances Data: 1157938-97-0(Hazardous Substances Data)

Usage

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.

Upstream product

• 288-36-8 1,2,3-triazole 
• 60468-36-2 α-chloro-2',5'-difluoroacetophenone 

Downstream Products

• 241479-74-3 (2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile 
• 241479-67-4 Isavuconazole 
• 241479-75-4 (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanamide 
• 483340-19-8 (2R,3R)-3-[3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-3-(1H-1,2,4-triazol-1-yl)]butanoic acid 
• 483340-19-8 3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanoic acid 
• 1558817-06-3 C₁₃H₁₃F₂N₃O₃ 

Relevant articles and documents

Preparation method of isavuconazole and isavuconazole prepared through method

The invention relates to a preparation method of isavuconazole and isavuconazole prepared through the method.The preparation method comprises the following steps that 1, diflurophenyl acetylchloride, triazole, CuI, potassium carbonate and first organic solvent are sequentially added into a reaction kettle, reacting under stirring is performed at the temperature of 80 DEG C-100 DEG C, and then purifying is performed to obtain a first product; 2, propionitrile, a catalyst and second organic solvent are added into a reaction container, the temperature is lowered to minus 20 DEG C-minus 5 DEG C, the second organic solvent containing the first product is dropwise added, reacting and purifying are performed to obtain a second product, and a mixture composed of C-9 primary amine quinine and copper pigment alkali is adopted as the catalyst; 3, the second product is added into another reaction container, diethylphosphorodithioate, water and mixed isopropanol solvent are added into the reaction container, heating is performed until the temperature is increased to 80 DEG C-90 DEG C, reacting under stirring and purifying are sequentially performed, and a third product is obtained; 4, the third product, 2-bromo-4'-acetylbenzonitrile and third organic solvent are mixed, react under stirring at the temperature of 60 DEG C-70 DEG C and then purified, and the isavuconazole is obtained.Accordingly, a novel synthetic route is redesigned, and the reaction steps are reduced.