4-Ethyl-2-methyl-5-phenyl-1,3-oxazole

Base Information

• Chemical Name: 4-Ethyl-2-methyl-5-phenyl-1,3-oxazole
• CAS No.: 88636-53-7
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.241
• DSSTox Substance ID: DTXSID20559126
• Wikidata: Q82441708

Synonyms:88636-53-7;4-Ethyl-2-methyl-5-phenyl-1,3-oxazole;DTXSID20559126

Chemical Property of 4-Ethyl-2-methyl-5-phenyl-1,3-oxazole

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(OC(=N1)C)C2=CC=CC=C2

Technology Process of 4-Ethyl-2-methyl-5-phenyl-1,3-oxazole

There total 4 articles about 4-Ethyl-2-methyl-5-phenyl-1,3-oxazole 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: 9.2%

propiophenone (495-40-9) → 4-ethyl-2-methyl-5-phenyloxazole (88636-53-7) + 1-oxo-1-phenylbutan-2-yl acetate (54034-47-8)

Guidance literature:

In acetic acid; acetonitrile; for 1h; Ambient temperature;

Reference yield:

(Z)-4-ethylidene-2-methyl-5-phenyl-4,5-dihydrooxazole → 4-ethyl-2-methyl-5-phenyloxazole (88636-53-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c03619

Reference yield:

(E)-isopropyl N-((Z)-1-oxo-1-phenylbut-2-en-2-yl)acetimidate → 4-ethyl-2-methyl-5-phenyloxazole (88636-53-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: cerium(III) chloride heptahydrate; methanol / 0.08 h / 0 °C / Inert atmosphere

1.2: 2 h / 0 - 20 °C / Inert atmosphere

2.1: potassium tert-butylate / tetrahydrofuran / 12 h / 20 °C / Inert atmosphere

With methanol; cerium(III) chloride heptahydrate; potassium tert-butylate; In tetrahydrofuran;

DOI:10.1021/acs.orglett.0c03619

upstream raw materials:

propiophenone

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