3H-Pyrazol-3-one, 2,4-dihydro-4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-phenyl-

Base Information

Chemical Name:3H-Pyrazol-3-one, 2,4-dihydro-4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-phenyl-
CAS No.:4174-09-8
Molecular Formula:C₂₁H₁₈N₄O₂
Molecular Weight:358.4
Hs Code.:
European Community (EC) Number:224-037-9
NSC Number:691428
DSSTox Substance ID:DTXSID8063333
ChEMBL ID:CHEMBL3145059
Mol file:4174-09-8.mol

Synonyms:(4Z)-5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one;4174-09-8;(4E)-5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one;SMR000123111;NSC691428;Maybridge1_001525;MLS000035487;MLS000565025;SCHEMBL2972359;CHEMBL3145059;DTXSID8063333;DFSHSSAUZJFPSK-UYRXBGFRSA-N;HMS2406D09;3H-Pyrazol-3-one, 2,4-dihydro-4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-phenyl-;3H-Pyrazol-3-one, 2,4-dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-;4-((5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one;EINECS 224-037-9;CCG-44148;STK392553;AKOS000349125;AKOS000605934;AKOS030660625;NSC-691428;NCGC00245333-01;NCGC00246144-01;NCI60_032827;Z56823357;(4Z)-4-[(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-3-METHYL-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE;(4Z)-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one;3H-pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-1,2-dihydro-5-methyl-2-phenyl-;4-((5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-1-phenyl-5-oxo-4,5-dihydro-1H-pyrazole

Suppliers and Price of 3H-Pyrazol-3-one, 2,4-dihydro-4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-phenyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of 3H-Pyrazol-3-one, 2,4-dihydro-4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-phenyl-

Chemical Property:

Vapor Pressure:2.77E-08mmHg at 25°C
Melting Point:320-322 °C
Boiling Point:449.8°Cat760mmHg
PKA:7?+-.0.50(Predicted)
Flash Point:225.8°C
Density:1.27g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:358.14297583
Heavy Atom Count:27
Complexity:725

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
Isomeric SMILES:CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C

Technology Process of 3H-Pyrazol-3-one, 2,4-dihydro-4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-phenyl-

There total 20 articles about 3H-Pyrazol-3-one, 2,4-dihydro-4-((5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-phenyl- 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: 94.0%

: 123-39-7
N-Methylformamide

: 89-25-8
edaravone

: 61466-03-3,4174-09-8,1388851-19-1
4,4-methine-bis-(3-methyl-1-phenyl-2-pyrazolin-5-one)

Guidance literature:: With trichlorophosphate; for 2h; Inert atmosphere;
DOI:10.1016/j.tet.2011.03.089

Reference yield: 93.0%

: 77287-34-4,77287-35-5,60100-09-6
formamide

: 89-25-8
edaravone

: 61466-03-3,4174-09-8,1388851-19-1
4,4-methine-bis-(3-methyl-1-phenyl-2-pyrazolin-5-one)

Guidance literature:: formamide; edaravone; With trichlorophosphate; at 50 - 60 ℃; Inert atmosphere;

With water; sodium hydrogencarbonate;
DOI:10.1016/j.tetlet.2011.05.055

Reference yield: 78.0%

: 59-88-1
phenylhydrazine hydrochloride

: 141-97-9
ethyl acetoacetate

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 89-25-8
edaravone

: 61466-03-3,4174-09-8,1388851-19-1
4,4-methine-bis-(3-methyl-1-phenyl-2-pyrazolin-5-one)

Guidance literature:: With p-toluenesulfonic acid monohydrate; at 110 ℃; for 1h; Reagent/catalyst; Temperature; Kinetics;
DOI:10.1039/c6ra10530k