3-(4-Chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
• CAS No.: 52596-85-7
• Molecular Formula: C15H11ClN2O
• Molecular Weight: 270.718
• DSSTox Substance ID: DTXSID90356407
• Nikkaji Number: J1.728.230A
• Wikidata: Q82135722
• ChEMBL ID: CHEMBL592820
• Mol file: 52596-85-7.mol

Synonyms:3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole;52596-85-7;Cambridge id 5923938;CHEMBL592820;DTXSID90356407;CCG-19671;STK034445;AKOS000618976;SJ000025632;SR-01000482819;SR-01000482819-1

Chemical Property of 3-(4-Chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole

Chemical Property:

• Boiling Point: 412.1±55.0 °C(Predicted)
• PSA: 38.92000
• Density: 1.244±0.06 g/cm3(Predicted)
• LogP: 4.36540
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 270.0559907
• Heavy Atom Count: 19
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl

Technology Process of 3-(4-Chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole

There total 6 articles about 3-(4-Chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole 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: 83.0%

4-Methylbenz(N-acetyl))imidsaeure-ethylester (132033-35-3) + 4-chloro-N'-hydroxybenzimidamide (5033-28-3) → 3-(4-chloro)phenyl-5-(4-methyl)phenyl-[1,2,4]oxadiazole (52596-85-7)

Guidance literature:

With acetic acid; In toluene; for 1h; Heating;

DOI:10.1515/HC.2004.10.2-3.151

Reference yield: 82.0%

4-chlorobenzamidoxime (5033-28-3) + 4-Methylbenzyl bromide (104-81-4) → 3-(4-chloro)phenyl-5-(4-methyl)phenyl-[1,2,4]oxadiazole (52596-85-7)

Guidance literature:

4-Methylbenzyl bromide; With potassium carbonate; dimethyl sulfoxide; at 110 ℃; for 4h;

4-chlorobenzamidoxime; With dimethyl sulfoxide; at 110 ℃; for 4h;

DOI:10.3184/174751915X14353363823928

Reference yield: 77.0%

C15H13ClN2O → 3-(4-chloro)phenyl-5-(4-methyl)phenyl-[1,2,4]oxadiazole (52596-85-7)

Guidance literature:

With iodine; potassium carbonate; In dimethyl sulfoxide; at 100 ℃; for 3h;

DOI:10.1002/jhet.4354

upstream raw materials:

carbon monoxide

4-chloro-N'-hydroxybenzimidamide

p-Toluic acid

4-Methylbenz(N-acetyl))imidsaeure-ethylester

Downstream raw materials:

3-(4-chloro-phenyl)-5-{4-[4-(1-phenyl-1H-pyrazol-3-yl)-styryl]-phenyl}-[1,2,4]oxadiazole

3-(4-chloro-phenyl)-5-{4-[4-(4-methoxy-[1,2,3]triazol-2-yl)-styryl]-phenyl}-[1,2,4]oxadiazole

2-(4-{4-[3-(4-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-trans-styryl}-phenyl)-2H-naphtho[1,2-d][1,2,3]triazole

3-(4-chloro-phenyl)-5-{4-[4-(2-phenyl-2H-[1,2,3]triazol-4-yl)-styryl]-phenyl}-[1,2,4]oxadiazole