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

Base Information

• Chemical Name: 2,4-Dihydro-5-(4-fluorophenyl)-2-phenyl-3H-pyrazol-3-one
• CAS No.: 74840-02-1
• Molecular Formula: C₁₅H₁₁FN₂O
• Molecular Weight: 254.264
• DSSTox Substance ID: DTXSID20505047
• Wikidata: Q82359883
• Mol file: 74840-02-1.mol

Synonyms:575455-54-8;2,4-DIHYDRO-5-(4-FLUOROPHENYL)-2-PHENYL-3H-PYRAZOL-3-ONE;5-(4-fluorophenyl)-2-phenyl-4H-pyrazol-3-one;5-(4-FLUOROPHENYL)-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE;SCHEMBL11732162;DTXSID20505047;AKOS015891566;MB07565;74840-02-1;FT-0769114

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

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 254.08554114
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 7 articles about 2,4-Dihydro-5-(4-fluorophenyl)-2-phenyl-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:

ethyl 3-(4'-fluorophenyl)-3-oxopropionate (1999-00-4) + phenylhydrazine hydrochloride (59-88-1) → 3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-5(4H)-one (74840-02-1)

Guidance literature:

With acetic acid; In ethanol; at 45 - 50 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2018.09.038

Reference yield:

phenylhydrazine hydrochloride (59-88-1) → 3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-5(4H)-one (74840-02-1)

Guidance literature:

phenylhydrazine hydrochloride; 4-fluorophenyl formyl acetate; With acetic acid; at 20 ℃; for 24h;

With triethylamine;

DOI:10.1039/c9ra07610g

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-5(4H)-one (74840-02-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / 60 °C

2: acetic acid / ethanol / Reflux

With sodium hydride; acetic acid; In ethanol;

DOI:10.1016/j.tetlet.2014.09.129

upstream raw materials:

1-(1-(4-fluorophenyl)ethylidene)-2-phenylhydrazine

Diethyl carbonate

methyl 4-fluorobenzoyl acetate

phenylhydrazine

Downstream raw materials:

5-chloro-3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

1,4-diphenyl-3-(4-fluorophenyl)-1H-pirazolo[3,4-b]quinoline