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CS-W001157 4
Total: USD 88.00

2-Chlorooxazole-4-carboxylic acid

  • CAS No. 706789-07-3

  • Cat. No. CS-W021675
  • Purity≥95%
  • MDL No.None

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

2-Chlorooxazole-4-carboxylic acid|CS-W021675

Structure of 706789-07-3

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General Information

  • CAS No. 706789-07-3
  • Cat. No. CS-W021675
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂ClNO₃
  • Molecular Weight 147.52
  • Synonym(s) None
  • SMILES OC(=O)C1=COC(Cl)=N1

Description

2-Chlorooxazole-4-carboxylic acid features a chlorine-substituted oxazole ring paired with a carboxylic acid group, enabling direct integration into heterocyclic scaffolds. This configuration supports efficient derivatization in medicinal chemistry and materials science. The compound exhibits bench-stable handling properties and facilitates modular synthesis of bioactive molecules under standard conditions.

Application

2-Chlorooxazole-4-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to oxazole-based scaffolds prevalent in pharmaceuticals and agrochemicals. Its carboxylic acid functionality facilitates direct coupling reactions, while the chloro substituent supports palladium-catalyzed cross-coupling and nucleophilic substitution. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Young, Gail L.; Smith, Stephen A.; Taylor, Richard J.K. Tetrahedron Letters, 2004 , vol. 45, # 19 p. 3797 - 3801

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   63.33
  • LogP   1.0262
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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