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CS-W001157 4
Total: USD 88.00

1-(Difluoromethyl)-4-iodo-1H-pyrazole

  • CAS No. 1041205-43-9

  • Cat. No. CS-W000405
  • Purity≥96%
  • MDL No.MFCD18633160

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

1-(Difluoromethyl)-4-iodo-1H-pyrazole|CS-W000405

Structure of 1041205-43-9

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General Information

  • CAS No. 1041205-43-9
  • Cat. No. CS-W000405
  • Purity ≥96%
  • MDL No. MFCD18633160
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃F₂IN₂
  • Molecular Weight 243.98
  • Synonym(s) 1-(Difluoromethyl)-4-iodopyrazole
  • SMILES IC1=CN(C(F)F)N=C1

Description

1-(Difluoromethyl)-4-iodo-1H-pyrazole features a uniquely electron-deficient pyrazole core flanked by a difluoromethyl group and a reactive iodine handle. This combination enables direct functionalization in cross-coupling reactions, facilitating the construction of complex fluorinated heterocycles under mild conditions. The molecule exhibits enhanced stability and solubility in polar aprotic solvents, streamlining its integration into synthetic workflows for medicinal chemistry and materials science applications.

Application

1-(Difluoromethyl)-4-iodo-1H-pyrazole serves as a versatile building block for constructing fluorinated heterocyclic scaffolds in medicinal chemistry. The difluoromethyl group imparts enhanced metabolic stability and modulates lipophilicity, while the iodine moiety enables palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Sonogashira couplings. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient synthesis of complex molecular architectures.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   1.8828
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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