2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one

Base Information

Chemical Name:2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one
CAS No.:96796-89-3
Molecular Formula:C₁₂H₁₂N₂O
Molecular Weight:200.24
Hs Code.:
ChEMBL ID:CHEMBL219655
DSSTox Substance ID:DTXSID50540108
Wikidata:Q82415992

Synonyms:96796-89-3;CHEMBL219655;DTXSID50540108;2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one

Suppliers and Price of 2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:200.094963011
Heavy Atom Count:15
Complexity:314

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C)C1=NN(C(=O)C1)C2=CC=CC=C2

Technology Process of 2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one

There total 1 articles about 2-Phenyl-5-(prop-1-en-2-yl)-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: 11.0%

: 25556-50-7
4-methyl-3-oxo-pent-4-enoic acid ethyl ester

: 100-63-0
phenylhydrazine

: 96796-89-3
3-Isopropenyl-1-phenyl-2-pyrazolin-5-one

Guidance literature:: With acetic acid; for 3h; Heating;
DOI:10.1016/j.bmcl.2006.09.005

Reference yield:

: 96796-89-3
3-Isopropenyl-1-phenyl-2-pyrazolin-5-one

: 96796-97-3
3-Isopropenyl-6-methyl-1-phenyl-5,6-dihydro-1H-pyrano[2,3-c]pyrazol-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) magnesium ethylate / 1.) toluene, reflux, 2 h; 2.) THF, r.t., 3 h

2: acetyl chloride / ethanol / 1 h / Heating

With magnesium ethylate; acetyl chloride; In ethanol;
DOI:10.1002/jhet.5570220121