Isavuconazole intermediate

Base Information

• Chemical Name: Isavuconazole intermediate
• CAS No.: 1286730-01-5
• Molecular Formula: C₁₃H₁₄F₂N₄OS*(x)H₂O₄S
• Molecular Weight: 410.41
• Mol file: 1286730-01-5.mol

Synonyms:

Chemical Property of Isavuconazole intermediate

Chemical Property:

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramidesulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Isavuconazole intermediate

There total 2 articles about Isavuconazole intermediate 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:

(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butyronitrile (241479-74-3) → (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide hydrogensulphate (1286730-01-5)

Guidance literature:

With sulfuric acid; hydrogen sulfide; In ethanol; for 5h; Autoclave; Heating;

Reference yield:

3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile → (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide hydrogensulphate (1286730-01-5)

Guidance literature:

Multi-step reaction with 3 steps

1: acetone; methanol / 20 °C / Reflux

2: sodium hydroxide / dichloromethane; water

3: hydrogen sulfide; sulfuric acid / ethanol / 5 h / Autoclave; Heating

With sulfuric acid; hydrogen sulfide; sodium hydroxide; In methanol; ethanol; dichloromethane; water; acetone;

upstream raw materials:

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

Refernces