5-[1,3-Dimethyl-5-(2-methylphenyl)-1H-pyrazol-4-yl]-3-phenyl-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-[1,3-Dimethyl-5-(2-methylphenyl)-1H-pyrazol-4-yl]-3-phenyl-1,2,4-oxadiazole
• CAS No.: 82044-26-6
• Molecular Formula: C₂₀H₁₈N₄O
• Molecular Weight: 330.389
• DSSTox Substance ID: DTXSID401138850

Synonyms:DTXSID401138850;5-[1,3-Dimethyl-5-(2-methylphenyl)-1H-pyrazol-4-yl]-3-phenyl-1,2,4-oxadiazole;82044-26-6

Chemical Property of 5-[1,3-Dimethyl-5-(2-methylphenyl)-1H-pyrazol-4-yl]-3-phenyl-1,2,4-oxadiazole

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 330.14806121
• Heavy Atom Count: 25
• Complexity: 441

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=C(C(=NN2C)C)C3=NC(=NO3)C4=CC=CC=C4

Technology Process of 5-[1,3-Dimethyl-5-(2-methylphenyl)-1H-pyrazol-4-yl]-3-phenyl-1,2,4-oxadiazole

There total 2 articles about 5-[1,3-Dimethyl-5-(2-methylphenyl)-1H-pyrazol-4-yl]-3-phenyl-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: 22.0%

4-amino-1,3-dimethyl-1H-pyrazolo<3,4-d>pyrimidine (5346-58-7) + toluene (108-88-3,15644-74-3,16713-13-6) → 1,5-dihydro-1,3-dimethyl-4H-pyrazolo<3,4-d>pyrimidin-4-one (87412-86-0) + 1,3-dimethyl-4-(p-methylphenyl)pyrazolo<3,4-d>pyrimidine (87412-58-6) + 5-<1,3-dimethyl-5-(o-methylphenyl)-1H-pyrazol-4-yl>-3-phenyl-1,2,4-oxadiazole (82044-26-6) + 5-<1,3-dimethyl-5-(m-methylphenyl)-1H-pyrazol-4-yl>-3-phenyl-1,2,4-oxadiazole (82044-27-7)

Guidance literature:

With n-Amyl nitrite; toluene-4-sulfonic acid; Yield given. Further byproducts given. Yields of byproduct given; Heating;

DOI:10.1021/jo00172a033

Reference yield: 7.0%

4-amino-1,3-dimethyl-1H-pyrazolo<3,4-d>pyrimidine (5346-58-7) + toluene (108-88-3,15644-74-3,16713-13-6) → 5-<1,3-dimethyl-1H-pyrazol-4-yl>-3-phenyl-1,2,4-oxadiazole (82044-28-8) + 5-<1,3-dimethyl-5-(o-methylphenyl)-1H-pyrazol-4-yl>-3-phenyl-1,2,4-oxadiazole (82044-26-6) + 5-<1,3-dimethyl-5-(m-methylphenyl)-1H-pyrazol-4-yl>-3-phenyl-1,2,4-oxadiazole (82044-27-7)

Guidance literature:

With o-toluenesulfonic acid; isopentyl nitrite; at 120 ℃; for 18h;

DOI:10.1021/ja00378a043

upstream raw materials:

4-amino-1,3-dimethyl-1H-pyrazolo<3,4-d>pyrimidine

toluene

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