3-methyl -4,5-diphenyl-4,5-didydro-isoxazole

Base Information

• Chemical Name: 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole
• CAS No.: 75115-00-3
• Molecular Formula: C₁₆H₁₃NO
• Molecular Weight: 235.285
• Mol file: 75115-00-3.mol

Synonyms:3-methyl-4,5-diphenylisoxazole

Chemical Property of 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole

Chemical Property:

• Melting Point: 93-94 °C
• Boiling Point: 338.0±21.0 °C(Predicted)
• PKA: -2.68±0.50(Predicted)
• Density: 1.108±0.06 g/cm3(Predicted)

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-Methyl-4,5-diphenylisoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 3-Methyl-4,5-diphenylisoxazole is an impurity of Parecoxib (P193275), an antiinflammatory, analgesic.

Technology Process of 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole

There total 8 articles about 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole 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: 85.0%

diphenylether (101-84-8) + C17H15NO → 3-methyl-4,5-diphenylisoxazole (75115-00-3)

Guidance literature:

With pyridine; 3-(3-aminopropyl)-1-methyl-1H-imidazol-3-ium bromide; at 140 ℃; for 12h; Inert atmosphere;

Reference yield: 85.0%

3,4-diphenyl-but-3-en-2-one oxime (3475-29-4) → 3-methyl-4,5-diphenylisoxazole (75115-00-3)

Guidance literature:

With iodine; sodium hydrogencarbonate; In tetrahydrofuran; water; Heating;

Reference yield: 73.0%

diphenylether (101-84-8) + C17H15NO → 3-methyl-4,5-diphenylisoxazole (75115-00-3) + 3-methyl-5-phenylisoxazole (1008-75-9) + benzyl bromide (100-39-0)

Guidance literature:

With 1-(3-aminopropyl)-3-methylimidazolium bromide; NHC-Pd(II)-Im; at 140 ℃; for 10h; Mechanism; Inert atmosphere; Schlenk technique;

DOI:10.1039/d1gc04556c

upstream raw materials:

3,4-diphenyl-but-3-en-2-one oxime

4-Bromo-3-methyl-5,5-diphenyl-4,5-dihydro-isoxazole

Z-1,1-diphenylbuten-3-one oxime

4-iodo-3-methyl-5-phenylisoxazole

Refernces

• 1、 -. "Method for synthesizing 4-aryl isoxazole derivative". Paragraph 0088-0097. . Retrieved 2021/04/14.
• 2、 -. "Substituted isoxazoles for the treatment of inflammation". Page 35-36. . Retrieved 2010/11/30.