3-(4-Methylphenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one

Base Information

• Chemical Name: 3-(4-Methylphenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one
• CAS No.: 78523-90-7
• Molecular Formula: C22H17NO2
• Molecular Weight: 327.382
• DSSTox Substance ID: DTXSID90507210
• Wikidata: Q82363303
• Mol file: 78523-90-7.mol

Synonyms:78523-90-7;3-(4-Methylphenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one;DTXSID90507210

Chemical Property of 3-(4-Methylphenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 327.125928785
• Heavy Atom Count: 25
• Complexity: 506

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=C(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 3-(4-Methylphenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one

There total 9 articles about 3-(4-Methylphenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-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: 80.0%

4,5-diphenyl-3-(p-tolyl)-4-oxazoline-2-thione (102064-15-3) → 4,5-Diphenyl-2-oxo-3-(p-tolyl)-2,3-dihydro-oxazol (78523-90-7)

Guidance literature:

With sodium nitrite; In hydrogenchloride; dichloromethane; for 0.75h; Ambient temperature; oxidation with CH₃I/methanol or mercuric oxide/acetic anhydride;

Reference yield: 72.0%

(+/-)-2,3-Epoxy-1,2-diphenylpropan-1-one (15045-02-0) + p-Tolylisocyanate (622-58-2,374675-64-6) → 4,5-Diphenyl-2-oxo-3-(p-tolyl)-2,3-dihydro-oxazol (78523-90-7)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; at 60 ℃; for 0.5h;

DOI:10.1007/BF00799242

Reference yield: 40.0%

4-(butyltellanyl)-5-phenyl-3-(p-tolyl)oxazol-2(3H)-one + phenylboronic acid (98-80-6) → 4,5-Diphenyl-2-oxo-3-(p-tolyl)-2,3-dihydro-oxazol (78523-90-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; silver(l) oxide; In N,N-dimethyl-formamide; at 100 ℃; for 12h; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.joc.0c02480

upstream raw materials:

(+/-)-2,3-Epoxy-1,2-diphenylpropan-1-one

p-Tolylisocyanate

2-<(4-Methylphenyl)imino>-1,2-diphenylethanone

chloroformic acid ethyl ester