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5-Isoxazolemethanol, 3-bromo-

  • CAS No. 25742-00-1

  • Cat. No. CS-0031362
  • Purity≥98%
  • MDL No.MFCD04035586

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

5-Isoxazolemethanol, 3-bromo-|CS-0031362

Structure of 25742-00-1

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General Information

  • CAS No. 25742-00-1
  • Cat. No. CS-0031362
  • Purity ≥98%
  • MDL No. MFCD04035586
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄BrNO₂
  • Molecular Weight 177.98
  • Synonym(s) 3-Bromo-5-hydroxymethylisoxazole
  • SMILES OCC1=CC(Br)=NO1

Description

(3-Bromoisoxazol-5-yl)methanol features a brominated isoxazole ring fused to a primary alcohol, enabling direct functionalization in synthetic sequences. This bench-stable, moisture-tolerant heterocycle integrates readily into bioactive molecule scaffolds and serves as a key intermediate for medicinal chemistry campaigns requiring halogen-directed coupling or cyclization pathways.

Application

(3-Bromoisoxazol-5-yl)methanol serves as a versatile building block for the synthesis of brominated heterocycles and bioactive molecules. Its isoxazole core provides structural rigidity and metabolic stability, while the pendant hydroxymethyl group enables facile derivatization via oxidation, etherification, or coupling reactions. The molecule exhibits excellent bench stability and compatibility with standard synthetic protocols, facilitating efficient incorporation into complex scaffolds for medicinal chemistry and process development.

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

Quality Control

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Computational Chemistry Data

  • TPSA   46.26
  • LogP   0.9294
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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