3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole
• CAS No.: 62921-44-2
• Molecular Formula: C16H13NO2
• Molecular Weight: 251.285
• ChEMBL ID: CHEMBL4790674
• DSSTox Substance ID: DTXSID80490425
• Wikidata: Q82334190
• Mol file: 62921-44-2.mol

Synonyms:62921-44-2;3-(4-methoxyphenyl)-4-phenylisoxazole;3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole;CHEMBL4790674;DTXSID80490425;NSC821558;NSC-821558

Chemical Property of 3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole

Chemical Property:

• PSA: 35.26000
• LogP: 4.01720
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NOC=C2C3=CC=CC=C3

Technology Process of 3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole

There total 13 articles about 3-(4-Methoxyphenyl)-4-phenyl-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: 79.0%

(4S,5S)-3-(4-Methoxy-phenyl)-5-nitro-4-phenyl-4,5-dihydro-isoxazole (130966-52-8) → 3-(4-methoxyphenyl)-4-phenylisoxazole (62921-44-2)

Guidance literature:

In toluene; Heating;

Reference yield: 42.0%

5-(ethoxycarbonyl)-3-(4-methoxyphenyl)-4-phenyl-4,5-dihydroisoxazole 2-oxide → 3-(4-methoxyphenyl)-4-phenylisoxazole (62921-44-2)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 60 ℃; for 6h;

DOI:10.1016/j.bmcl.2020.127608

Reference yield:

3-(4-methoxyphenyl)-4-phenyl-5-(pyrrolidin-1-yl)-4,5-dihydroisoxazole → 3-(4-methoxyphenyl)-4-phenylisoxazole (62921-44-2)

Guidance literature:

With potassium hydroxide; In methanol; ethyl acetate; at 65 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.201700154

upstream raw materials:

2-(4-methoxyphenyl)-4-phenyloxazole

(4S,5S)-3-(4-Methoxy-phenyl)-5-nitro-4-phenyl-4,5-dihydro-isoxazole

4-methoxyphenylacetamide

α-bromoacetophenone