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CS-W001157 4
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Ethyl 5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylate

  • CAS No. 158154-63-3

  • Cat. No. CS-W022697
  • Molecule weight198.22
  • Purity≥98%
  • MDL No.MFCD11975623

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

Ethyl 5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylate|CS-W022697

Structure of 158154-63-3

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General Information

  • CAS No. 158154-63-3
  • Cat. No. CS-W022697
  • Purity ≥98%
  • MDL No. MFCD11975623
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₃
  • Molecular Weight 198.22
  • Synonym(s) Ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate
  • SMILES O=C(C1=NOC(C(C)(C)C)=N1)OCC

Description

Ethyl 5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a sterically hindered tert-butyl group that enhances stability and solubility in organic solvents. This oxadiazole derivative serves as a key building block for synthesizing bioactive molecules, particularly in medicinal chemistry where its electron-deficient ring system facilitates efficient coupling reactions. The ethyl ester functionality enables straightforward derivatization under standard conditions.

Application

Ethyl 5-(tert-butyl)-1,2,4-oxadiazole-3-carboxylate serves as a stable, bench-ready building block for the synthesis of functionalized oxadiazoles. Its tert-butyl group enhances steric protection and solubility, while the ester functionality enables straightforward derivatization via hydrolysis or nucleophilic substitution. This compound facilitates access to bioactive heterocyclic scaffolds commonly found in medicinal chemistry and agrochemical research, offering predictable reactivity and ease of purification in standard synthetic workflows.

Safety Information

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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   65.22
  • LogP   1.5438
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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