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5-(tert-Butyl)-3-iodo-1H-pyrazole

  • CAS No. 1218791-05-9

  • Cat. No. CS-0100211
  • Purity≥95%
  • MDL No.MFCD13195724

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

5-(tert-Butyl)-3-iodo-1H-pyrazole|CS-0100211

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General Information

  • CAS No. 1218791-05-9
  • Cat. No. CS-0100211
  • Purity ≥95%
  • MDL No. MFCD13195724
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁IN₂
  • Molecular Weight 250.08
  • Synonym(s) 5-tert-Butyl-3-iodo-1H-pyrazole
  • SMILES IC1=CC(C(C)(C)C)=NN1

Description

5-(tert-Butyl)-3-iodo-1H-pyrazole features a sterically shielded tert-butyl group at the 5-position, enhancing stability and solubility in organic media. The iodine substituent at the 3-position enables efficient coupling in palladium-catalyzed cross-coupling reactions. This bench-stable pyrazole derivative serves as a key building block for functionalized heterocycles in medicinal chemistry and materials science.

Application

5-(tert-Butyl)-3-iodo-1H-pyrazole serves as a versatile building block for constructing substituted pyrazole scaffolds in medicinal chemistry and materials science. The iodine atom enables reliable cross-coupling reactions, while the tert-butyl group enhances steric stability and facilitates purification. This compound exhibits excellent bench stability and functional group tolerance, making it well-suited for iterative synthesis workflows and scalable applications in heterocyclic chemistry.

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

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.3118
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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