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CS-W001157 4
Total: USD 88.00

1-Cyclopropyl-4-iodo-1H-pyrazole

  • CAS No. 1239363-40-6

  • Cat. No. CS-0037329
  • Purity≥95%
  • MDL No.MFCD22573364

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

1-Cyclopropyl-4-iodo-1H-pyrazole|CS-0037329

Structure of 1239363-40-6

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General Information

  • CAS No. 1239363-40-6
  • Cat. No. CS-0037329
  • Purity ≥95%
  • MDL No. MFCD22573364
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇IN₂
  • Molecular Weight 234.04
  • Synonym(s) None
  • SMILES C1CC1N2C=C(C=N2)I

Description

1-Cyclopropyl-4-iodo-1H-pyrazole features a sterically encumbered cyclopropyl group flanking a reactive iodopyrazole core, enabling direct functionalization in cross-coupling reactions. This bench-stable heterocycle integrates readily into complex molecular architectures under standard conditions.

Application

1-Cyclopropyl-4-iodo-1H-pyrazole serves as a versatile building block for late-stage functionalization in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions. The iodide group facilitates efficient C–C and C–heteroatom bond formation under mild conditions, while the cyclopropyl substituent provides favorable steric and electronic properties. Bench-stable and compatible with diverse reaction environments, it functions reliably in the synthesis of complex heterocyclic scaffolds and drug candidates.

Synthesis

  • Route1
    • In-stock
      4-Iodopyrazole|CS-W008950
      3469-69-0
    • null|null
      4333-56-6
    • ~%
    • In-stock
      1-Cyclopropyl-4-iodo-1H-pyrazole|CS-0037329
      1239363-40-6

    References

    • WO2012/24620 A2, ; Page/Page column 183 ; WO 2012/024620 A2
  • Route2

    References

    • US2011/230462 A1, ; Page/Page column 84 ; US 20110230462 A1

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   17.82
  • LogP   1.8226
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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