2-(4-Bromophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Base Information

• Chemical Name: 2-(4-Bromophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
• CAS No.: 87277-69-8
• Molecular Formula: C15H11BrN2O
• Molecular Weight: 315.169
• DSSTox Substance ID: DTXSID20515641
• Nikkaji Number: J2.520.318F
• Wikidata: Q82376613

Synonyms:87277-69-8;2-(4-Bromophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one;3H-Pyrazol-3-one, 2-(4-bromophenyl)-2,4-dihydro-5-phenyl-;DTXSID20515641;1-(4-Bromophenyl)-3-phenyl-1H-pyrazol-5(4H)-one;2-(4-BROMOPHENYL)-5-PHENYL-4H-PYRAZOL-3-ONE

Chemical Property of 2-(4-Bromophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property:

• Melting Point: 151-152 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 426.3±47.0 °C(Predicted)
• PSA: 32.67000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 3.09070
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 314.00548
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Bromophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

There total 4 articles about 2-(4-Bromophenyl)-5-phenyl-2,4-dihydro-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: 53.0%

(4-bromophenyl)hydrazine (589-21-9) + C11H11BF2O3 → 5-ethoxy-1-(4-bromophenyl)-3-phenyl-1H-pyrazole + 2-phenyl-5-(4'-bromo-phenyl)-2,4-dihydro-3H-pyrazol-3-one (87277-69-8)

Guidance literature:

In acetonitrile; at 25 ℃; for 24h;

DOI:10.1016/j.tet.2007.08.085

Reference yield:

(4-bromophenyl)hydrazine (589-21-9) → 2-phenyl-5-(4'-bromo-phenyl)-2,4-dihydro-3H-pyrazol-3-one (87277-69-8)

Guidance literature:

With acetic acid; at 20 ℃; for 24h;

DOI:10.1039/c9ra07610g

Reference yield:

ethyl 3-oxo-3-phenylpropionate (94-02-0) + (4-bromophenyl)hydrazine (589-21-9) → 2-phenyl-5-(4'-bromo-phenyl)-2,4-dihydro-3H-pyrazol-3-one (87277-69-8)

Guidance literature:

With acetic acid; Reflux;

DOI:10.1021/acs.orglett.8b02214

upstream raw materials:

(4-bromophenyl)hydrazine

ethyl 3-oxo-3-phenylpropionate

Downstream raw materials:

2-(4'-bromo-phenyl)-4-cyclohexyl-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

C₃₅H₂₆Br₂N₄O₂

2-(4'-bromo-phenyl)-4-cycloheptyl-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

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