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CS-W001157 4
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2-(3,4-Dimethylphenyl)-5-methyl-1H-pyrazol-3(2H)-one

  • CAS No. 277299-70-4

  • Cat. No. CS-0153002
  • Molecule weight202.25
  • Purity≥95%
  • MDL No.MFCD09795980

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

2-(3,4-Dimethylphenyl)-5-methyl-1H-pyrazol-3(2H)-one|CS-0153002

Structure of 277299-70-4

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General Information

  • CAS No. 277299-70-4
  • Cat. No. CS-0153002
  • Purity ≥95%
  • MDL No. MFCD09795980
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O
  • Molecular Weight 202.25
  • Synonym(s) 1-(3,4-diMethylphenyl)-3-Methyl-1H-pyrazol-5-ol
  • SMILES CC1=CC=C(C=C1C)N2C(=O)C=C(C)N2

Description

This pyrazolone derivative features a sterically hindered core with dual methyl substituents enhancing solubility and stability. The electron-rich aromatic ring facilitates efficient coupling in transition metal-catalyzed transformations, while the carbonyl group enables robust coordination in chelation chemistry.

Application

2-(3,4-Dimethylphenyl)-5-methyl-1H-pyrazol-3(2H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling the synthesis of pyrazolone-based scaffolds with defined steric and electronic profiles. Its stability under standard reaction conditions facilitates functionalization at the 2- and 5-positions, while the dimethylphenyl group enhances lipophilicity and target engagement potential in kinase inhibitor design.

Synthesis

  • Route1

    References

    • US2004/53299 A1, ;
  • Route2
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • (3,4-Dimethylphenyl)hydrazine|CS-0445165
      13636-53-8
    • ~63%
    • In-stock
      2-(3,4-Dimethylphenyl)-5-methyl-1H-pyrazol-3(2H)-one|CS-0153002
      277299-70-4

    References

    • US6552008 B1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.79
  • LogP   2.09086
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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