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1-(Oxazol-2-yl)ethan-1-one

  • CAS No. 77311-07-0

  • Cat. No. CS-0103616
  • Molecule weight111.10
  • Purity≥97%
  • MDL No.MFCD07699282

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

1-(Oxazol-2-yl)ethan-1-one|CS-0103616

Structure of 77311-07-0

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General Information

  • CAS No. 77311-07-0
  • Cat. No. CS-0103616
  • Purity ≥97%
  • MDL No. MFCD07699282
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₂
  • Molecular Weight 111.10
  • Synonym(s) 1-(Oxazol-2-yl)ethanone
  • SMILES CC(C1=NC=CO1)=O

Description

1-(Oxazol-2-yl)ethan-1-one features a reactive ketone group flanked by a heteroaromatic oxazole ring, enabling direct incorporation into diverse synthetic scaffolds. This bench-stable moiety serves as a key building block in medicinal chemistry and materials synthesis, offering high functional group tolerance and compatibility with standard reaction conditions.

Application

1-(Oxazol-2-yl)ethan-1-one serves as a versatile building block in synthetic organic chemistry, enabling the efficient construction of oxazole-containing scaffolds. Its reactive ketone functionality facilitates nucleophilic addition and condensation reactions, while the oxazole ring provides inherent stability and metabolic resistance. This compound functions effectively in late-stage functionalization and heterocycle synthesis, offering bench-stable handling and straightforward purification—key attributes for industrial R&D workflows.

Synthesis

  • Route1

    References

    • WO2009/77990 A1, ; Page/Page column 94 ;

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-H227-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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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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