1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE

Base Information

• Chemical Name: 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE
• CAS No.: 19212-42-1
• Molecular Formula: C12H11NO2
• Molecular Weight: 201.225
• Hs Code.: 2934999090
• Mol file: 19212-42-1.mol

Synonyms:Ketone,methyl 5-methyl-3-phenyl-4-isoxazolyl (8CI);1-(5-Methyl-3-phenylisoxazol-4-yl)ethanone;3-Phenyl-4-acetyl-5-methylisoxazole;NSC 255230;

Chemical Property of 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE

Chemical Property:

• Vapor Pressure: 2.46E-05mmHg at 25°C
• Melting Point: 56-58 °C
• Refractive Index: 1.54
• Boiling Point: 359 °C at 760 mmHg
• PKA: -4.13±0.50(Predicted)
• Flash Point: 170.9 °C
• PSA: 43.10000
• Density: 1.127 g/cm³
• LogP: 2.85260

Purity/Quality:

99%, ^*data from raw suppliers

1-(5-Methyl-3-phenyl-4-isoxazolyl)-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE

There total 9 articles about 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE 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: 100.0%

aqueous NaCl + acetylacetone (123-54-6,81235-32-7) + phenylhydroxamoyl chloride (934-16-7) → 1-(5-Methyl-3-phenyl-isoxazol-4-yl)-ethanone (19212-42-1)

Guidance literature:

With triethylamine; In ethanol; ethyl acetate;

Reference yield: 59.0%

benzonitrile oxide (873-67-6) + acetylacetone (123-54-6,81235-32-7) → 1-(5-Methyl-3-phenyl-isoxazol-4-yl)-ethanone (19212-42-1)

Guidance literature:

In dichloromethane; at 20 ℃; for 6h;

DOI:10.1081/SCC-120004066

Reference yield: 48.0%

syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2) + (E)-4-(dimethylamino)pent-3-en-2-one (54716-01-7) → 1-(5-Methyl-3-phenyl-isoxazol-4-yl)-ethanone (19212-42-1)

Guidance literature:

With [hydroxy(tosyloxy)iodo]benzene; In dichloromethane; at 20 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201901258

upstream raw materials:

tetrachloromethane

benzonitrile oxide

ethanol

acetylacetone

Downstream raw materials:

4-isopropenyl-5-methyl-3-phenyl-isoxazole

3-hydroxy-3-(5-methyl-3-phenyl-isoxazol-4-yl)-butyric acid methyl ester

3-(5-methyl-3-phenyl-isoxazol-4-yl)-but-3-enoic acid methyl ester

1-(5-methyl-3-phenyl-isoxazol-4-yl)-ethanone phenylhydrazone

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