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1-tert-Butoxycarbonyl-3-iodo-1H-pyrazole

  • CAS No. 1233513-13-7

  • Cat. No. CS-0139510
  • Molecule weight294.09
  • Purity≥97%
  • MDL No.None

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

1-tert-Butoxycarbonyl-3-iodo-1H-pyrazole|CS-0139510

Structure of 1233513-13-7

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General Information

  • CAS No. 1233513-13-7
  • Cat. No. CS-0139510
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁IN₂O₂
  • Molecular Weight 294.09
  • Synonym(s) None
  • SMILES IC1=NN(C(OC(C)(C)C)=O)C=C1

Description

1-tert-Butoxycarbonyl-3-iodo-1H-pyrazole features a pyrazole core functionalized with a tert-butoxycarbonyl group at N1 and an iodine atom at C3, delivering a stable, electron-deficient heterocycle. This combination enables direct incorporation into cross-coupling reactions and facilitates rapid derivatization via palladium-catalyzed transformations. The protected nitrogen ensures compatibility with diverse reaction conditions while the iodide serves as a high-efficiency coupling handle.

Application

1-tert-Butoxycarbonyl-3-iodo-1H-pyrazole serves as a versatile building block for the synthesis of functionalized pyrazole scaffolds, enabling efficient late-stage diversification via transition-metal-catalyzed cross-coupling reactions. The Boc group provides bench-stable protection of the pyrazole nitrogen, while the iodide facilitates reliable Suzuki, Stille, or Negishi coupling under standard conditions. Its compatibility with diverse functional groups and straightforward purification make it a practical choice for medicinal chemistry and process development workflows.

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   44.12
  • LogP   2.2709
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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