5-(4-Methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole
• CAS No.: 90276-22-5
• Molecular Formula: C17H16N2O
• Molecular Weight: 264.327
• DSSTox Substance ID: DTXSID00573446
• Nikkaji Number: J1.504.637F
• Wikidata: Q82462174
• Mol file: 90276-22-5.mol

Synonyms:90276-22-5;5-(4-Methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole;DTXSID00573446

Chemical Property of 5-(4-Methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 264.126263138
• Heavy Atom Count: 20
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=C1)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Technology Process of 5-(4-Methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole

There total 15 articles about 5-(4-Methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole 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: 96.0%

5-(4-methoxyphenyl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazole (93648-88-5) → 5-(4-methoxy-phenyl)-3-methyl-1-phenyl-1H-pyrazole (90276-22-5)

Guidance literature:

With palladium 10% on activated carbon; acetic acid; at 100 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c1cc14850h

Reference yield: 94.0%

4-(p-Methoxyphenyl)-but-3-en-2-on Phenylhydrazon (34292-28-9) → 5-(4-methoxy-phenyl)-3-methyl-1-phenyl-1H-pyrazole (90276-22-5)

Guidance literature:

With ferric(III) bromide; oxygen; In toluene; at 110 ℃; for 4h; Schlenk technique; Sealed tube;

DOI:10.1021/jo3026862

Reference yield: 91.0%

phenylhydrazine hydrochloride (59-88-1) + (Z)-3-amino-1-(4-methoxyphenyl)but-2-en-1-one (102252-89-1) → 5-(4-methoxy-phenyl)-3-methyl-1-phenyl-1H-pyrazole (90276-22-5)

Guidance literature:

With acetic acid; In ethanol; at 20 ℃; for 24h;

DOI:10.3987/com-00-9102

upstream raw materials:

phenylhydrazine hydrochloride

(Z)-3-amino-1-(4-methoxyphenyl)but-2-en-1-one

4-methoxyphenylboronic acid

trifluoromethanesulfonic acid 5-methyl-2-phenyl-2H-pyrazol-3-yl ester