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CS-W001157 4
Total: USD 88.00

3-Iodo-1H-pyrazole

  • CAS No. 4522-35-4

  • Cat. No. CS-D0881
  • Purity≥97%
  • MDL No.MFCD12022324

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

3-Iodo-1H-pyrazole|CS-D0881

Structure of 4522-35-4

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General Information

  • CAS No. 4522-35-4
  • Cat. No. CS-D0881
  • Purity ≥97%
  • MDL No. MFCD12022324
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₃IN₂
  • Molecular Weight 193.97
  • Synonym(s) 3-Iodo-1H-Pyrazole(WX638030)
  • SMILES IC1=NNC=C1

Description

3-Iodo-1H-pyrazole is a bench-stable heterocyclic iodide featuring a reactive iodo substituent at the 3-position of the pyrazole ring. This configuration enables direct functionalization in cross-coupling reactions, facilitating efficient access to diverse nitrogen-containing scaffolds. The molecule’s electron-deficient nature enhances its utility in transition-metal-catalyzed transformations, particularly under mild conditions.

Application

3-Iodo-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions for the construction of biaryl and heteroaryl scaffolds. Its iodine substituent provides high reactivity in standard Suzuki, Stille, and Negishi transformations, while the pyrazole core offers excellent functional group tolerance and bench stability, facilitating efficient synthesis of complex nitrogen-containing architectures.

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 : P264-P270-P301+P310-P330-P501

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   1.0143
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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