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CS-W001157 4
Total: USD 88.00

3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one

  • CAS No. 86-92-0

  • Cat. No. CS-W016788
  • Purity≥98%
  • MDL No.None

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

3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one|CS-W016788

Structure of 86-92-0

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General Information

  • CAS No. 86-92-0
  • Cat. No. CS-W016788
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂N₂O
  • Molecular Weight 188.23
  • Synonym(s) p-Tolylmethylpyrazolone
  • SMILES O=C1CC(C)=NN1C2=CC=C(C)C=C2

Description

3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one features a fused heterocyclic core with a methyl substituent at the 3-position and a para-tolyl group attached to nitrogen, delivering enhanced solubility and thermal stability. This scaffold serves as a privileged building block in medicinal chemistry, enabling efficient integration into bioactive molecules through its electron-rich pyrazolone ring and favorable steric profile.

Application

3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one serves as a versatile scaffold for medicinal chemistry and heterocyclic synthesis, offering a stable, bench-ready platform for derivatization at the pyrazolone ring. Its dual aryl and methyl substituents provide favorable electronic and steric properties, enabling efficient functionalization in standard coupling and cyclization reactions. The compound exhibits excellent solubility and stability under routine reaction conditions, facilitating purification and integration into multi-step syntheses of bioactive molecules.

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 53, # 49 p. 6650 - 6653
  • Route2

    References

    • Xu, Xiu-Hua; Wang, Xin; Liu, Guo-Kai; Tokunaga, Etsuko; Shibata, Norio Organic Letters, 2012 , vol. 14, # 10 p. 2544 - 2547
  • Route3

    References

    • Jing, Lingling; Wang, Liang; Zhao, Yinglan; Tan, Rui; Xing, Xiumei; Liu, Ting; Huang, Wencai; Luo, Youfu; Li, Zicheng Journal of Chemical Research, 2012 , vol. 36, # 12 p. 691 - 696

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
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   2.10762
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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