3-methyl-1,4-diphenyl-1H-pyrazol-5-ol

Base Information

• Chemical Name: 3-methyl-1,4-diphenyl-1H-pyrazol-5-ol
• CAS No.: 79481-69-9
• Molecular Formula: C16H14N2O
• Molecular Weight: 250.3
• DSSTox Substance ID: DTXSID80350419,DTXSID10902283
• Wikidata: Q82126356
• ChEMBL ID: CHEMBL3144986
• Mol file: 79481-69-9.mol

Synonyms:79481-69-9;3-methyl-1,4-diphenyl-1H-pyrazol-5-ol;5-methyl-2,4-diphenyl-1H-pyrazol-3-one;5-Methyl-2,4-diphenyl-1H-pyrazol-3(2H)-one;5-methyl-2,4-diphenyl-1,2-dihydro-3H-pyrazol-3-one;11E-408S;5-methyl-2,4-diphenyl-2,3-dihydro-1H-pyrazol-3-one;MLS000113655;NoName_1520;Cambridge id 7163786;Oprea1_726241;CHEMBL3144986;SCHEMBL14132909;SCHEMBL23399618;DTXSID10902283;DTXSID80350419;FHTQNZVFYHIKPF-UHFFFAOYSA-N;HMS2186P15;MFCD00140645;STK007572;1,4-Diphenyl-3-methylpyrazolon-(5);AKOS003596528;AKOS005077024;SMR000109550;SR-01000253097;SR-01000253097-1

Chemical Property of 3-methyl-1,4-diphenyl-1H-pyrazol-5-ol

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 250.110613074
• Heavy Atom Count: 19
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 3-methyl-1,4-diphenyl-1H-pyrazol-5-ol

There total 11 articles about 3-methyl-1,4-diphenyl-1H-pyrazol-5-ol 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:

3-Methyl-2-phenyl-3-phenylazo-butyric acid methyl ester → 1,4-diphenyl-3-methyl-5-pyrazolone (79481-69-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In diethyl ether; Yield given; Ambient temperature; standing;

Reference yield:

benzenediazonium sulphate (6415-38-9) → 1,4-diphenyl-3-methyl-5-pyrazolone (79481-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1: titanous chloride, ferrous sulphate / H₂O; acetic acid

2: H₂ / 10percent palladium on carbon / diethyl ether / Ambient temperature; standing

With titanium(III) chloride; hydrogen; iron(II) sulfate; palladium on activated charcoal; In diethyl ether; water; acetic acid;

Reference yield:

benzene diazonium chloride (100-34-5) → 1,4-diphenyl-3-methyl-5-pyrazolone (79481-69-9)

Guidance literature:

Multi-step reaction with 3 steps

1: titanous chloride / methanol / 0 °C

2: basic alumina / methanol / 1 h / Heating

3: O₂ (air) / 48 h

With aluminum oxide; titanium(III) chloride; oxygen; In methanol;

upstream raw materials:

ethyl 2-phenylacetoacetate

phenylhydrazine

3-oxo-2-phenylbutanamide

benzene diazonium chloride

Downstream raw materials:

1-phenyl-3-methyl-4-phenylpyrazole

Refernces