1,5-Diphenyl-1H-pyrazole-3-carbaldehyde

Base Information

• Chemical Name: 1,5-Diphenyl-1H-pyrazole-3-carbaldehyde
• CAS No.: 112009-28-6
• Molecular Formula: C₁₆H₁₂N₂O
• Molecular Weight: 248.284
• DSSTox Substance ID: DTXSID60695774
• Nikkaji Number: J2.789.322H
• Wikidata: Q82625067
• Mol file: 112009-28-6.mol

Synonyms:1,5-DIPHENYL-1H-PYRAZOLE-3-CARBALDEHYDE;112009-28-6;1,5-diphenylpyrazole-3-carbaldehyde;SCHEMBL4245811;DTXSID60695774;KUMVINZWWAVEME-UHFFFAOYSA-N;MFCD04115088;AKOS024260352;AB19583;CS-0341857;FT-0725224

Chemical Property of 1,5-Diphenyl-1H-pyrazole-3-carbaldehyde

Chemical Property:

• Boiling Point: 441.3±33.0 °C(Predicted)
• PKA: -2.59±0.10(Predicted)
• PSA: 34.89000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 3.35180
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 248.094963011
• Heavy Atom Count: 19
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

1,5-Diphenyl-1H-pyrazole-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C=O

Technology Process of 1,5-Diphenyl-1H-pyrazole-3-carbaldehyde

There total 2 articles about 1,5-Diphenyl-1H-pyrazole-3-carbaldehyde 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:

(1,5-diphenyl-1H-pyrazol-3-yl)-methanol (945984-78-1) → 1,5-diphenyl-1H-pyrazole-3-carbaldehyde (112009-28-6)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 25 - 35 ℃;

DOI:10.1039/c9nj05426j

Reference yield:

phenylhydrazine (100-63-0) → 1,5-diphenyl-1H-pyrazole-3-carbaldehyde (112009-28-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trifluoroacetic acid / ethanol / 2 h / 85 °C

1.2: 0 - 35 °C / Inert atmosphere

2.1: manganese(IV) oxide / dichloromethane / 25 - 35 °C

With manganese(IV) oxide; trifluoroacetic acid; In ethanol; dichloromethane;

DOI:10.1039/c9nj05426j

upstream raw materials:

phenylhydrazine

(1,5-diphenyl-1H-pyrazol-3-yl)-methanol

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