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CS-W001157 4
Total: USD 88.00

5-Phenyl-2,4-dihydro-3H-pyrazol-3-one

  • CAS No. 4860-93-9

  • Cat. No. CS-0094278
  • Purity≥97%
  • MDL No.MFCD00100937

*For research and further manufacturing use only, not for direct human use.

5-Phenyl-2,4-dihydro-3H-pyrazol-3-one|CS-0094278

Structure of 4860-93-9

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General Information

  • CAS No. 4860-93-9
  • Cat. No. CS-0094278
  • Purity ≥97%
  • MDL No. MFCD00100937
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O
  • Molecular Weight 160.17
  • Synonym(s) 3-phenyl-5-pyrazolone
  • SMILES O=C1NN=C(C2=CC=CC=C2)C1

Description

5-Phenyl-2,4-dihydro-3H-pyrazol-3-one features a conjugated enone system flanked by a phenyl ring and a pyrrolidinone core, enabling participation in cycloaddition reactions. The scaffold exhibits enhanced stability under standard conditions and integrates readily into heterocyclic libraries for medicinal chemistry applications.

Application

5-Phenyl-2,4-dihydro-3H-pyrazol-3-one serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. Its enolizable carbonyl and C5-phenyl substitution enable reliable participation in nucleophilic additions, cycloadditions, and transition-metal-catalyzed couplings. The scaffold exhibits bench stability, moderate solubility in common organic solvents, and compatibility with standard purification methods, facilitating integration into multi-step syntheses of functionalized pyrazole derivatives and pharmacologically relevant scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   41.46
  • LogP   0.9106
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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