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CS-W001157 4
Total: USD 88.00

3-Bromoisoxazole-5-carbaldehyde

  • CAS No. 220780-57-4

  • Cat. No. CS-W021887
  • Purity≥95%
  • MDL No.MFCD09834813

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

3-Bromoisoxazole-5-carbaldehyde|CS-W021887

Structure of 220780-57-4

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General Information

  • CAS No. 220780-57-4
  • Cat. No. CS-W021887
  • Purity ≥95%
  • MDL No. MFCD09834813
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂BrNO₂
  • Molecular Weight 175.97
  • Synonym(s) 3-Bromo-5-isoxazolecarboxaldehyde
  • SMILES BrC1=NOC(C=O)=C1

Description

3-Bromoisoxazole-5-carbaldehyde features a brominated isoxazole ring fused to an aldehyde group, delivering high reactivity in cross-coupling and heterocycle functionalization. This electron-deficient scaffold enables efficient incorporation into complex molecular architectures under mild conditions.

Application

3-Bromoisoxazole-5-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient access to heterocyclic scaffolds via palladium-catalyzed cross-coupling reactions. The bromine and aldehyde functionalities offer orthogonal reactivity for sequential functionalization, while the isoxazole core provides metabolic stability and favorable pharmacophore properties. Bench-stable and amenable to purification by flash chromatography, it facilitates scalable synthesis of complex targets in drug discovery 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   43.1
  • LogP   1.2496
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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