5-Acetyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one

Base Information

• Chemical Name: 5-Acetyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one
• CAS No.: 18354-42-2
• Molecular Formula: C₁₂H₁₀FNO₃
• Molecular Weight: 235.215
• NSC Number: 115817
• Mol file: 18354-42-2.mol

Synonyms:18354-42-2;5-Acetyl-2-(4-fluorophenyl)-5-methyloxazol-4(5H)-one;NSC115817;NSC-115817

Chemical Property of 5-Acetyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one

Chemical Property:

• Vapor Pressure: 0.000376mmHg at 25°C
• Boiling Point: 317.8°Cat760mmHg
• Flash Point: 146°C
• Density: 1.29g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.06447134
• Heavy Atom Count: 17
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(C(=O)N=C(O1)C2=CC=C(C=C2)F)C

Technology Process of 5-Acetyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one

There total 2 articles about 5-Acetyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-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:

4-fluorobenzoyl isocyanate (18354-35-3) + 2,2,2-trimethoxy-4,5-dimethyl-2,2-dihydro-1,3,2-dioxaphosphole (1665-79-8) → 2--5-acetyl-5-methyl-1,3-oxazolin-4-on (18354-42-2)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1021/jo01254a025

Reference yield:

p-fluorobenzamide (824-75-9) → 2--5-acetyl-5-methyl-1,3-oxazolin-4-on (18354-42-2)

Guidance literature:

Multi-step reaction with 2 steps

2: CH₂Cl₂ / 20 °C

In dichloromethane;

DOI:10.1021/jo01254a025

Reference yield:

2--5-acetyl-5-methyl-1,3-oxazolin-4-on (18354-42-2) → 2-Acetyl-2-(4-fluorbenzoyloxy)-propionsaeureamid) (18354-46-6)

Guidance literature:

With water;

DOI:10.1021/jo01254a025

upstream raw materials:

4-fluorobenzoyl isocyanate

2,2,2-trimethoxy-4,5-dimethyl-2,2-dihydro-1,3,2-dioxaphosphole

p-fluorobenzamide

Downstream raw materials:

2-Acetyl-2-(4-fluorbenzoyloxy)-propionsaeureamid)

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