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CS-W001157 4
Total: USD 88.00

4-Phenyl-1H-pyrazole

  • CAS No. 10199-68-5

  • Cat. No. CS-W022231
  • Purity≥97%
  • MDL No.MFCD00462204

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

4-Phenyl-1H-pyrazole|CS-W022231

Structure of 10199-68-5

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General Information

  • CAS No. 10199-68-5
  • Cat. No. CS-W022231
  • Purity ≥97%
  • MDL No. MFCD00462204
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂
  • Molecular Weight 144.17
  • Synonym(s) 4-PHENYLPYRAZOLE
  • SMILES C1(C2=CC=CC=C2)=CNN=C1

Description

4-Phenyl-1H-pyrazole integrates a phenyl ring directly at the 4-position of the pyrazole core, enhancing π-conjugation and electronic delocalization. This structural feature imparts stability and facilitates its use in heterocyclic synthesis, particularly in medicinal chemistry scaffolds and functional materials.

Application

4-Phenyl-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard functionalization at the pyrazole ring. Its stability under routine reaction conditions and compatibility with diverse coupling processes facilitate efficient synthesis of pharmaceutical intermediates and probe molecules.

Synthesis

  • Route1
    • null|null
      852471-30-8
    • ~97%
    • In-stock
      4-Phenyl-1H-pyrazole|CS-W022231
      10199-68-5

    References

    • Allin, Steven M.; Barton, William R.S.; Russell Bowman; Bridge (nee Mann), Emma; Elsegood, Mark R.J.; McInally, Tom; McKee, Vickie Tetrahedron, 2008 , vol. 64, # 33 p. 7745 - 7758
  • Route2
    • 4-Phenyl-1-(triphenylmethyl)-1H-pyrazole|CS-0196104
      919802-97-4
    • ~99%
    • In-stock
      4-Phenyl-1H-pyrazole|CS-W022231
      10199-68-5

    References

    • Ichikawa, Hayato; Ohno, Yuuki; Usami, Yoshihide; Arimoto, Masao Heterocycles, 2006 , vol. 68, # 11 p. 2247 - 2252
  • Route3
    • null|null
      26591-66-2
    • ~%
    • In-stock
      4-Phenyl-1H-pyrazole|CS-W022231
      10199-68-5

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 24, # 2 p. 586 - 590

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.0767
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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