(Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate

Base Information

• Chemical Name: (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate
• CAS No.: 1333152-22-9
• Molecular Formula: C₁₆H₁₃F₆N₃O₂
• Molecular Weight: 393.289
• Mol file: 1333152-22-9.mol

Synonyms:(Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate

Chemical Property of (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate

Chemical Property:

• Boiling Point: 407.8±55.0 °C(Predicted)
• PKA: 0.36±0.50(Predicted)
• Density: 1.38±0.1 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

(Z)-isopropyl3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate

There total 7 articles about (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate 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: 61.6%

3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole (1333154-10-1) + (Z)-isopropyl 3-iodoacrylate (1333154-26-9) → (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate (1333152-22-9) + (E)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate (1421923-95-6)

Guidance literature:

3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole; With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; for 0.5h;

(Z)-isopropyl 3-iodoacrylate; In N,N-dimethyl-formamide; for 1h;

Reference yield: 61.0%

3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole (1333154-10-1) + (Z)-isopropyl 3-iodoacrylate (1333154-26-9) → (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate (1333152-22-9)

Guidance literature:

3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole; With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; for 0.5h;

(Z)-isopropyl 3-iodoacrylate; In N,N-dimethyl-formamide; for 1h; Time;

Reference yield:

isopropyl propiolate (96088-62-9) + 3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole (1333154-10-1) → (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate (1333152-22-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

3,5-bis(trifluoromethyl)benzonitrile

isopropyl propiolate

3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole

3,5-bis(trifluoromethyl)benzothioamide

Downstream raw materials:

(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one

(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylic acid

3-[3-[3,5-bis(trifloromoethyl)phenyl]-1H-1,2,4-triazol-1-yl]-N’-(pyrazin-2-yl)acrylohydrazide

(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-2-ylprop-2-enehydrazide

Refernces

• 1、 -. "SOLID FORMS OF SELINEXOR AND PROCESS FOR THEIR PREPARATION". Page/Page column 59. . Retrieved 2017/08/01.
• 2、 Riaz,Burke,Mahipal. "Selinexor". . p. 685 - 692. Retrieved 2015/02/02.