(S)-4-tert-butyl-2-(5-(trifluoroMethyl)pyridin-2-yl)-4,5-dihydrooxazole

Base Information

• Chemical Name: (S)-4-tert-butyl-2-(5-(trifluoroMethyl)pyridin-2-yl)-4,5-dihydrooxazole
• CAS No.: 1416819-91-4
• Molecular Formula: C₁₃H₁₅F₃N₂O
• Molecular Weight: 272.27
• Mol file: 1416819-91-4.mol

Synonyms:

Chemical Property of (S)-4-tert-butyl-2-(5-(trifluoroMethyl)pyridin-2-yl)-4,5-dihydrooxazole

Chemical Property:

• Boiling Point: 319.6±42.0 °C(Predicted)
• PKA: 3.23±0.70(Predicted)
• Density: 1.25±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-4-tert-Butyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-4-tert-butyl-2-(5-(trifluoroMethyl)pyridin-2-yl)-4,5-dihydrooxazole

There total 2 articles about (S)-4-tert-butyl-2-(5-(trifluoroMethyl)pyridin-2-yl)-4,5-dihydrooxazole 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: 71.0%

2-cyano-5-trifluoro-methylpyridine (95727-86-9) + (S)-tert-leucinol (112245-13-3) → (S)-4-(tert-butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole (1416819-91-4,1428537-19-2)

Guidance literature:

With zinc trifluoromethanesulfonate; In toluene; for 24h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1021/acs.orglett.9b03338

Reference yield:

L-tert-Leucine (20859-02-3) → (S)-4-(tert-butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole (1416819-91-4,1428537-19-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium tetrahydroborate; iodine / tetrahydrofuran / 15 h / Inert atmosphere; Schlenk technique; Reflux

1.2: 5 h / Inert atmosphere; Schlenk technique

2.1: zinc trifluoromethanesulfonate / toluene / 24 h / Inert atmosphere; Schlenk technique; Reflux

With sodium tetrahydroborate; iodine; zinc trifluoromethanesulfonate; In tetrahydrofuran; toluene;

DOI:10.1021/acs.orglett.9b03338

upstream raw materials:

L-tert-Leucine

2-cyano-5-trifluoro-methylpyridine

(S)-tert-leucinol

Refernces