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Ethyl benzo[d]oxazole-6-carboxylate

  • CAS No. 1355171-03-7

  • Cat. No. CS-0208038
  • Purity≥97%
  • MDL No.MFCD16036195

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

Ethyl benzo[d]oxazole-6-carboxylate|CS-0208038

Structure of 1355171-03-7

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General Information

  • CAS No. 1355171-03-7
  • Cat. No. CS-0208038
  • Purity ≥97%
  • MDL No. MFCD16036195
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) Ethyl 1,3-benzoxazole-6-carboxylate
  • SMILES CCOC(=O)C1=CC2=C(C=C1)N=CO2

Description

Ethyl benzo[d]oxazole-6-carboxylate is a heteroaromatic ester featuring a fused oxazole ring system. This bench-stable compound integrates readily into transition-metal-catalyzed coupling reactions and serves as a key scaffold in the synthesis of bioactive molecules, particularly within medicinal chemistry and materials science applications.

Application

Ethyl benzo[d]oxazole-6-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its carboxylate functionality enables direct derivatization via ester hydrolysis or coupling reactions, while the fused oxazole core provides rigidity and enhanced metabolic stability. The compound exhibits good bench stability and facilitates efficient functionalization at the 6-position, making it well-suited for scaffold diversification in target-oriented synthesis.

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   2.0045
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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