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CS-W001157 4
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5-Methyl-1,3,4-oxadiazole-2-carbaldehyde

  • CAS No. 164024-09-3

  • Cat. No. CS-0447725
  • Purity≥98%
  • MDL No.None

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

5-Methyl-1,3,4-oxadiazole-2-carbaldehyde|CS-0447725

Structure of 164024-09-3

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General Information

  • CAS No. 164024-09-3
  • Cat. No. CS-0447725
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₂O₂
  • Molecular Weight 112.09
  • Synonym(s) 1,3,4-Oxadiazole-3-carboxaldehyde-5-Methyl
  • SMILES CC1=NN=C(C=O)O1

Description

5-Methyl-1,3,4-oxadiazole-2-carbaldehyde features a fused oxadiazole ring with a methyl substituent and a reactive aldehyde group. This configuration enables direct incorporation into heterocyclic scaffolds via nucleophilic addition or condensation reactions. The compound exhibits bench-stable handling characteristics and facilitates efficient access to bioactive analogs in medicinal chemistry campaigns.

Application

5-Methyl-1,3,4-oxadiazole-2-carbaldehyde serves as a versatile building block for heterocyclic synthesis, enabling efficient access to bioactive scaffolds. Its aldehyde functionality facilitates reductive amination, Grignard additions, and coupling reactions with nucleophiles. The oxadiazole ring imparts metabolic stability and favorable polarity, enhancing utility in medicinal chemistry. Bench-stable and readily purified by flash chromatography, it functions reliably in multi-step syntheses of pharmaceutical intermediates and functional materials.

Synthesis

  • Route1

    References

    • AVEXA LIMITED Patent: WO2007/124546 A1, 2007 ; Location in patent: Page/Page column 60 ;

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.99
  • LogP   0.19052
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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