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

Base Information

• Chemical Name: 4-Bromo-5-methyl-2-phenyl-1,3-oxazole
• CAS No.: 197719-26-9
• Molecular Formula: C₁₀H₈BrNO
• Molecular Weight: 238.084
• European Community (EC) Number: 963-815-9
• Mol file: 197719-26-9.mol

Synonyms:4-bromo-5-methyl-2-phenyl-1,3-oxazole;SCHEMBL14776733;197719-26-9;EN300-22892964

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

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.97893
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)Br

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

There total 5 articles about 4-Bromo-5-methyl-2-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: 97.0%

4-bromo-2-phenyloxazole (861440-59-7) + methyl iodide (74-88-4) → 4-bromo-5-methyl-2-phenyloxazole (197719-26-9)

Guidance literature:

4-bromo-2-phenyloxazole; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

methyl iodide; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1039/c2cc35587f

Reference yield: 43.0%

5-methyl-2-phenyloxazole (5221-67-0) → 4-bromo-5-methyl-2-phenyloxazole (197719-26-9)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 80 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jacs.9b10875

Reference yield: 8.0%

2-Benzoyl-4-bromo-3-methylisoxazol-5(2H)-one → 5-bromo-4-methyl-2-phenyloxazole (21354-98-3) + 4-bromo-5-methyl-2-phenyloxazole (197719-26-9)

Guidance literature:

In 1,4-dioxane; for 5h; Irradiation;

DOI:10.1039/a700134g

upstream raw materials:

5-methyl-2-phenyloxazole

benzoyl chloride

4-bromo-2-phenyloxazole

methyl iodide

Downstream raw materials:

2,4-diphenyl-5-methyloxazole