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

Base Information

• Chemical Name: 1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole
• CAS No.: 241479-73-2
• Molecular Formula: C12H11F2N3O
• Molecular Weight: 251.236
• Mol file: 241479-73-2.mol

Synonyms:.(2R,3S)-2-(2,5-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)methyl]oxirane;(2(R),3(S))-1-[2-(2,5-difluoro-phenyl)-3-methyl-oxiranylmethyl]-1H-[1,2,4]triazole;

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

Chemical Property:

• Boiling Point: 386.5±52.0 °C(Predicted)
• PKA: 2.75±0.10(Predicted)
• PSA: 43.24000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 1.87050

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole

There total 20 articles about 1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole 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: 95.0%

(2R,3R)-2-(2,5-difluoro-phenyl)-1-(1H-1,2,4-triazole-1-yl)butan-2,3-diol (241479-72-1) → (2R,3S)-2-(2,5-difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)-methyl]-oxirane (241479-73-2)

Guidance literature:

(2R,3R)-2-(2,5-difluoro-phenyl)-1-(1H-1,2,4-triazole-1-yl)butan-2,3-diol; With methanesulfonyl chloride; triethylamine; In tetrahydrofuran; at 0 ℃; for 0.333333h;

With tetrabutylammomium bromide; sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; enantioselective reaction;

DOI:10.1021/acs.orglett.1c02588

Reference yield: 93.0%

(2R,3R)-2-(2,5-difluoro-phenyl)-1-(1H-1,2,4-triazole-1-yl)butan-2,3-diol (241479-72-1) + NaOMe methanol → (2R,3S)-2-(2,5-difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)-methyl]-oxirane (241479-73-2)

Guidance literature:

With triethylamine; In methanol; dichloromethane;

Reference yield: 56.0%

1,2,4-Triazole (288-88-0) + C12H16F2O7S2 (329744-73-2) → (2R,3S)-2-(2,5-difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)-methyl]-oxirane (241479-73-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 65 ℃;

DOI:10.1016/j.jfluchem.2005.12.008

upstream raw materials:

1,2,3-triazole

(R)-1-[(R)-2-(2,5-difluorophenyl)-2-oxiranyl]ethyl methanesulfonate

(2R,3R)-2-(2,5-difluoro-phenyl)-1-(1H-1,2,4-triazole-1-yl)butan-2,3-diol

1,2,4-Triazole

Downstream raw materials:

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

(2R,3R)-2-(2,5-difluorophenyl)-3-[(trans-2-phenyl-1,3-dioxan-5-yl)thio]-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Isavuconazole