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CS-W001157 4
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3-Hydroxyisoxazole-5-carboxylic acid

  • CAS No. 13626-60-3

  • Cat. No. CS-W021938
  • Purity≥98%
  • MDL No.MFCD08669892

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

3-Hydroxyisoxazole-5-carboxylic acid|CS-W021938

Structure of 13626-60-3

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General Information

  • CAS No. 13626-60-3
  • Cat. No. CS-W021938
  • Purity ≥98%
  • MDL No. MFCD08669892
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃NO₄
  • Molecular Weight 129.07
  • Synonym(s) 3-Hydroxy-5-isoxazolecarboxylic acid
  • SMILES O=C(O)C1=CC(NO1)=O

Description

3-Hydroxyisoxazole-5-carboxylic acid features a fused heterocyclic core with orthogonal functional groups enabling direct integration into bioactive scaffolds. The hydroxyl and carboxylic acid moieties offer dual sites for derivatization, enhancing solubility and metabolic stability in pharmaceutical intermediates. This bench-stable compound facilitates efficient coupling reactions under standard conditions.

Application

3-Hydroxyisoxazole-5-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. Its dual functionality—hydroxyl and carboxylic acid groups—enables diverse transformations, including derivatization, cyclization, and metal-catalyzed coupling reactions. The molecule exhibits good bench stability and facilitates efficient purification, making it suitable for high-throughput screening and API intermediate synthesis.

Synthesis

  • Route1

    References

    • WO2010/136474 A2, ; Page/Page column 180 ;

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   83.3
  • LogP   -0.3339
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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