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Ethyl 2-(benzo[d]oxazol-2-yl)acetate

  • CAS No. 16105-44-5

  • Cat. No. CS-0043180
  • Molecule weight205.21
  • Purity≥96%
  • MDL No.None

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

Ethyl 2-(benzo[d]oxazol-2-yl)acetate|CS-0043180

Structure of 16105-44-5

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General Information

  • CAS No. 16105-44-5
  • Cat. No. CS-0043180
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₃
  • Molecular Weight 205.21
  • Synonym(s) 2-Benzoxazoleacetic acid, ethyl ester
  • SMILES O=C(OCC)CC1=NC2=CC=CC=C2O1

Description

Ethyl 2-(benzo[d]oxazol-2-yl)acetate features a fused benzoxazole core linked to an ethyl ester-functionalized acetic acid moiety. This combination delivers enhanced stability and solubility in organic solvents, enabling efficient incorporation into heterocyclic synthesis. The benzo[d]oxazol-2-yl group serves as a rigid, electron-deficient scaffold for further functionalization, while the ester facilitates derivatization under mild conditions.

Application

Ethyl 2-(benzo[d]oxazol-2-yl)acetate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized benzoxazole derivatives. Its ester group facilitates nucleophilic acyl substitution and subsequent transformations, while the benzo[d]oxazol-2-yl moiety provides structural rigidity and enhanced metabolic stability. The compound exhibits good bench stability and is compatible with standard reaction conditions, making it well-suited for medicinal chemistry and process development 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   52.33
  • LogP   1.9334
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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