(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide Chemical Properties

Melting point:

198-200oC

Boiling point:

536.4±60.0 °C(Predicted)

Density 

1.43±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

form 

Solid

pka

11.54±0.29(Predicted)

color 

Off-White

CAS DataBase Reference

368421-58-3

(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide Usage And Synthesis

Uses

(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide is an intermediate in the synthesis of Isavuconazole (I777830), an triazole based antifungal agent for the treatment of invasive fungal infections.

Synthesis

(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide is prepared by passing (2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile and O,O-Diethyl hydrogen phosphorodithioate through the following steps.
Step 1: (2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile; O,O-Diethyl hydrogen phosphorodithioate In water; isopropyl alcohol at 78℃; for 15h;
Step 2: With sodium hydroxide In dichloromethane; water at 20℃; pH=7-8.

(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide(368421-58-3)Related Product Information

• Isavuconazonium sulfate