1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole Chemical Properties

Boiling point:

386.5±52.0 °C(Predicted)

Density 

1.41±0.1 g/cm3(Predicted)

pka

2.75±0.10(Predicted)

InChI

InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-4-9(13)2-3-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1

InChIKey

QYOWWJNQQPRWCO-QPUJVOFHSA-N

SMILES

N1(C[C@]2(C3=CC(F)=CC=C3F)[C@H](C)O2)C=NC=N1

1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole Usage And Synthesis

Chemical Properties

1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole, also known as (2R,3S)-2-(2,5-Difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxirane, is a off white or white powder.

Preparation

(2R, 3R)-2-(2,5-Difluoro-phenyl)-1-[1 ,2,4]-triazol-1-yl-butane-2,3-diol (324 mg, 1.20 mmol) is dissolved in methylene chloride (13 ml) and then triethylamine (0.59 ml, 4.2.mmol) is added to the reaction mixture. The reaction mixture is cooled to 0 ℃ and methane sulfonyl chloride (0.21 ml, 2.72 mmol) dissolved in methylene chloride (4 ml) is added. After 4 hours, sodium hydroxide solution (0.98 ml) is added and the reaction mixture is stirred at room temperature overnight. Finally, 1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole was obtained through purification.