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CS-W001157 4
Total: USD 88.00

1-(Isoxazol-5-yl)ethan-1-one

  • CAS No. 88511-38-0

  • Cat. No. CS-0005550
  • Purity≥98%
  • MDL No.MFCD16619203

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

1-(Isoxazol-5-yl)ethan-1-one|CS-0005550

Structure of 88511-38-0

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General Information

  • CAS No. 88511-38-0
  • Cat. No. CS-0005550
  • Purity ≥98%
  • MDL No. MFCD16619203
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₂
  • Molecular Weight 111.10
  • Synonym(s) Ketone, 5-isoxazolyl methyl (7CI)
  • SMILES CC(C1=CC=NO1)=O

Description

1-(Isoxazol-5-yl)ethan-1-one features a fused isoxazole ring with a ketone-bearing ethyl side chain, delivering a rigid, electron-deficient heterocyclic scaffold. This configuration enables direct integration into synthetic routes targeting bioactive molecules and functional materials. The compound exhibits bench-stable handling characteristics and compatibility with standard organic transformations under mild conditions.

Application

1-(Isoxazol-5-yl)ethan-1-one serves as a versatile synthetic building block for heterocyclic chemistry, enabling efficient access to isoxazole-fused scaffolds. Its ketone functionality facilitates nucleophilic addition and condensation reactions, while the isoxazole ring offers stability and compatibility with common functional groups. The compound demonstrates excellent bench stability and ease of purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1
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      855747-53-4
    • ~%
    • In-stock
      1-(Isoxazol-5-yl)ethan-1-one|CS-0005550
      88511-38-0

    References

    • Gazzetta Chimica Italiana, , vol. 79, p. 654,660

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   43.1
  • LogP   0.8772
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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