5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one

Base Information

• Chemical Name: 5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one
• CAS No.: 34320-83-7
• Molecular Formula: C15H11N3O3
• Molecular Weight: 281.271
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID10372801
• Nikkaji Number: J738.442D
• Wikidata: Q82160689
• ChEMBL ID: CHEMBL387129
• Mol file: 34320-83-7.mol

Synonyms:TCS PRP INHIBITOR 13;34320-83-7;5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one;3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-5(4H)-one;2,4-DIHYDRO-5-(4-NITROPHENYL)-2-PHENYL-3H-PYRAZOL-3-ONE;ST51035799;CHEMBL387129;SCHEMBL10435116;DTXSID10372801;FDAVFKZPGQEGDX-UHFFFAOYSA-N;3H-Pyrazol-3-one, 2,4-dihydro-5-(4-nitrophenyl)-2-phenyl-;HMS3740K19;CAY10550;AKOS004905742;AKOS040745395;NCGC00378797-01;MS-23993;HY-107662;CS-0029109;1-Phenyl-3-(4-nitrophenyl)-2-pyrazolin-5-one;J-019553;,4-Dihydro-5-(4-nitrophenyl)-2-phenyl-3H-pyrazol-3-one;5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property of 5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 465.949oC at 760 mmHg
• Flash Point: 235.598oC
• PSA: 78.49000
• Density: 1.38g/cm3
• LogP: 2.75960
• Storage Temp.: Store at +4°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 281.08004122
• Heavy Atom Count: 21
• Complexity: 444

Purity/Quality:

97% ^*data from raw suppliers

TCS PrP Inhibitor 13 ^*data from reagent suppliers

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=C(C=C3)[N+](=O)[O-]
• Uses: TCS PrP Inhibitor 13 is a PrP-res accumulation inhibitor.

Technology Process of 5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one

There total 3 articles about 5-(4-nitrophenyl)-2-phenyl-4H-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: 85.0%

ethyl 4-nitrobenzoylacetate (838-57-3) + phenylhydrazine (100-63-0) → 3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-5(4H)-one (34320-83-7)

Guidance literature:

In ethanol; for 15h; Heating;

DOI:10.1021/jm070688r

Reference yield: 53.0%

edaravone (89-25-8) + 5,5'-bis-(4-nitro-phenyl)-2,2'-diphenyl-1,2,2',4'-tetrahydro-4,4'-methanylylidene-bis-pyrazol-3-one (61466-08-8) → 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-2,4-dihydro-3H-pyrazol-4-yl)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (61466-03-3,1388851-19-1) + 3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-5(4H)-one (34320-83-7)

Guidance literature:

In butan-1-ol; for 6h; Heating;

DOI:10.1007/BF02251560

Reference yield: 39.0%

ethyl 4-nitrobenzoylacetate (838-57-3) + phenylhydrazine hydrochloride (59-88-1) → 3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-5(4H)-one (34320-83-7)

Guidance literature:

With acetic acid; for 8h; Reflux;

DOI:10.3390/molecules25040900

upstream raw materials:

edaravone

5,5'-bis-(4-nitro-phenyl)-2,2'-diphenyl-1,2,2',4'-tetrahydro-4,4'-methanylylidene-bis-pyrazol-3-one

ethyl 4-nitrobenzoylacetate

phenylhydrazine

Downstream raw materials:

4,4-Dibromo-5-(4-nitro-phenyl)-2-phenyl-2,4-dihydro-pyrazol-3-one

1-phenyl-3-(p-nitrophenyl)-4-(p-nitrophenylidene)pyrazol-5-one

BIURET

4,4-Diazido-5-(4-nitro-phenyl)-2-phenyl-2,4-dihydro-pyrazol-3-one