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CS-W001157 4
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3-Bromo-1-(oxan-2-yl)-1h-pyrazole

  • CAS No. 1044270-96-3

  • Cat. No. CS-0051500
  • Purity≥98%
  • MDL No.None

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

3-Bromo-1-(oxan-2-yl)-1h-pyrazole|CS-0051500

Structure of 1044270-96-3

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General Information

  • CAS No. 1044270-96-3
  • Cat. No. CS-0051500
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁BrN₂O
  • Molecular Weight 231.09
  • Synonym(s) 3-Bromo-1-tetrahydropyran-2-yl-pyrazole
  • SMILES BrC1=NN(C=C1)C1CCCCO1

Description

3-Bromo-1-(oxan-2-yl)-1H-pyrazole integrates a bromine handle and a chiral oxane moiety, enabling direct functionalization in late-stage diversification. The pyrazole core offers robust stability under standard conditions, while the oxan-2-yl group enhances solubility and facilitates stereocontrolled synthesis. This compound serves as a key intermediate in medicinal chemistry campaigns targeting heterocyclic scaffolds.

Application

3-Bromo-1-(oxan-2-yl)-1H-pyrazole serves as a versatile building block for the synthesis of functionalized pyrazole derivatives, enabling efficient late-stage diversification via palladium-catalyzed cross-coupling reactions. The bromo group provides a reliable handle for Suzuki, Stille, or Negishi coupling, while the oxan-2-yl substituent offers enhanced solubility and metabolic stability. This compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited 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   27.05
  • LogP   2.3447
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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