22717-41-5

Basic information

• Product Name: 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-2-phenyl-
• CAS NO: 22717-41-5
• Molecular Formula: C12H14N2O
• Molecular Weight: 202.256
• Mol File: 22717-41-5.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-2-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-2-phenyl-(22717-41-5)
• EPA Substance Registry System: 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-2-phenyl-(22717-41-5)

Safety Data

• Hazardous Substances Data: 22717-41-5(Hazardous Substances Data)

Upstream product

• 85920-63-4 5-(1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 75-03-6 ethyl iodide 
• 100-63-0 phenylhydrazine 
• 607-97-6 ethyl 2-ethyl-3-oxobutanoate 
• 1694-31-1 tert-butyl acetoacetate 

Downstream Products

• 1360466-30-3 C₂₉H₂₇N₃O₃ 
• 1360466-23-4 C₂₂H₂₁N₃O₃ 
• 1263575-51-4 (R)-diisopropyl 1-(4-ethyl-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)hydrazine-1,2-dicarboxylate 
• 1042977-36-5 4-ethyl-4-hydroxy-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 

Relevant articles and documents

Tunable Aerobic Oxidative Hydroxylation/Dehydrogenative Homocoupling of Pyrazol-5-ones under Transition-Metal-Free Conditions

A practical and tunable transition-metal-free aerobic oxidation of pyrazol-5-ones preparing either 4-hydroxypyrazoles (via C-H hydroxylation) or bispyrazoles (via dehydrogenative homocoupling) is described. The K2CO3/dioxane reagent system predominately promoted hydroxylation to deliver the α-hydroxylated pyrazoles. In contrast, the formation of bispyrazoles was overwhelmingly preferred with CH3CN as the reaction medium without any additives.

Solid-phase synthesis of substituted pyrazolones from polymer-bound β-keto esters

Polymer-bound acetoacetate 3 was γ-mono- and γ-dialkylated, as well as α-monoalkylated, to give 6, 9, and 13, respectively. Treatment with hydrazine or substituted hydrazines followed by thermal or acidic cyclizing cleavage yielded the pyrazolones 17a-dd in a purity of >90%.