3,5-Bis(4-methylphenyl)-4,5-dihydro-1,2-oxazole

Base Information

• Chemical Name: 3,5-Bis(4-methylphenyl)-4,5-dihydro-1,2-oxazole
• CAS No.: 20821-96-9
• Molecular Formula: C17H17NO
• Molecular Weight: 251.328
• DSSTox Substance ID: DTXSID00508197
• Nikkaji Number: J484.911F
• Mol file: 20821-96-9.mol

Synonyms:20821-96-9;3,5-di-p-tolyl-4,5-dihydroisoxazole;3,5-Bis(4-methylphenyl)-4,5-dihydro-1,2-oxazole;DTXSID00508197;AKOS008132315;Z445129212

Chemical Property of 3,5-Bis(4-methylphenyl)-4,5-dihydro-1,2-oxazole

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 251.131014166
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CC(=NO2)C3=CC=C(C=C3)C

Technology Process of 3,5-Bis(4-methylphenyl)-4,5-dihydro-1,2-oxazole

There total 6 articles about 3,5-Bis(4-methylphenyl)-4,5-dihydro-1,2-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: 88.0%

trans-di(4-methylphenyl)cyclopropane (51009-44-0,51009-46-2,117954-05-9,138983-88-7) → 3,5-bis(4-methylphenyl)-2-isoxazoline (20821-96-9)

Guidance literature:

With dinitrogen tetraoxide; In dichloromethane; at -30 ℃; for 1h;

Reference yield: 66.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) + 1-(p-tolylethynyl)-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one → 3,5-bis(4-methylphenyl)-2-isoxazoline (20821-96-9)

Guidance literature:

With silver(I) nitrite; tetrakis(actonitrile)copper(I) hexafluorophosphate; potassium acetate; zinc trifluoromethanesulfonate; In acetonitrile; at 80 ℃; for 24h; Schlenk technique; Molecular sieve; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01285

Reference yield: 55.0%

C17H18 (51009-44-0,51009-46-2,117954-05-9,138983-88-7) → 3,5-bis(4-methylphenyl)-2-isoxazoline (20821-96-9)

Guidance literature:

9,10-Dicyanoanthracene; In acetonitrile; for 3h; Irradiation;

DOI:10.1246/cl.1988.723

upstream raw materials:

4,4'-Dimethylchalcon

trans-di(4-methylphenyl)cyclopropane

C₁₇H₁₈

4-methyl-benzaldehyde

Downstream raw materials:

3,5-di(4′-methylphenyl)isoxazole