2,4-Dihydro-2-phenyl-5-(4-pyridinyl)-3H-pyrazol-3-one

Base Information

• Chemical Name: 2,4-Dihydro-2-phenyl-5-(4-pyridinyl)-3H-pyrazol-3-one
• CAS No.: 21683-62-5
• Molecular Formula: C₁₄H₁₁N₃O
• Molecular Weight: 237.261
• DSSTox Substance ID: DTXSID501214922
• Mol file: 21683-62-5.mol

Synonyms:21683-62-5;SCHEMBL9378430;2,4-Dihydro-2-phenyl-5-(4-pyridinyl)-3H-pyrazol-3-one;DTXSID501214922

Chemical Property of 2,4-Dihydro-2-phenyl-5-(4-pyridinyl)-3H-pyrazol-3-one

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.090211983
• Heavy Atom Count: 18
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=NC=C3

Technology Process of 2,4-Dihydro-2-phenyl-5-(4-pyridinyl)-3H-pyrazol-3-one

There total 2 articles about 2,4-Dihydro-2-phenyl-5-(4-pyridinyl)-3H-pyrazol-3-one 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: 69.0%

phenylhydrazine (100-63-0) + ethyl isonicotinyl acetate → 2-phenyl-5-pyridin-4-yl-2,4-dihydropyrazol-3-one (21683-62-5)

Guidance literature:

With acetic acid; at 100 ℃; for 0.5h;

DOI:10.1002/jccs.200400146

Reference yield:

→ 2-phenyl-5-pyridin-4-yl-2,4-dihydropyrazol-3-one (21683-62-5)

Guidance literature:

/BRN= 104586/, 1) KMnO4 in H2O, 2) esterfication with EtOH/c-H2SO4, 3) dry EtOAc/EtONa (heating), 4) C6H5-NHNH2, glacial acetic acid in EtOH (heating);

Reference yield: 91.0%

benzaldehyde (100-52-7) + 2-phenyl-5-pyridin-4-yl-2,4-dihydropyrazol-3-one (21683-62-5) → 4-benzylidene-2-phenyl-5-pyridin-4-yl-2,4-dihydropyrazol-3-one (848355-66-8)

Guidance literature:

at 140 ℃; for 3h;

DOI:10.1002/jccs.200400146

upstream raw materials:

phenylhydrazine

Downstream raw materials:

4-benzylidene-2-phenyl-5-pyridin-4-yl-2,4-dihydropyrazol-3-one

4-(4-methoxybenzylidene)-2-phenyl-5-pyridin-4-yl-2,4-dihydropyrazol-3-one

5-chloro-1-phenyl-3-pyridin-4-yl-1H-pyrazole-4-carbaldehyde

5-azido-1-phenyl-3-pyridin-4-yl-1H-pyrazole-4-carbaldehyde