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CS-W001157 4
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3-(4-Ethynylphenyl)propanoic acid

  • CAS No. 880081-84-5

  • Cat. No. CS-0373286
  • Molecule weight174.20
  • Purity≥96%
  • MDL No.None

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

3-(4-Ethynylphenyl)propanoic acid|CS-0373286

Structure of 880081-84-5

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General Information

  • CAS No. 880081-84-5
  • Cat. No. CS-0373286
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₂
  • Molecular Weight 174.20
  • Synonym(s) None
  • SMILES O=C(O)CCC1=CC=C(C#C)C=C1

Description

3-(4-Ethynylphenyl)propanoic acid features a terminal alkyne group conjugated to a para-substituted phenyl ring, enabling efficient copper-catalyzed click reactions. The carboxylic acid moiety provides a handle for amide coupling or derivatization. This bifunctional architecture supports modular synthesis in bioconjugation and materials chemistry, offering robust reactivity under mild conditions.

Application

3-(4-Ethynylphenyl)propanoic acid serves as a versatile building block for copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, enabling efficient access to triazole-linked scaffolds. The terminal alkyne functionality exhibits high reactivity under standard click chemistry conditions, while the carboxylic acid group allows for direct derivatization or salt formation. Its bench-stable, crystalline nature facilitates handling and purification, making it well-suited for modular synthesis in medicinal chemistry and materials science applications.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.6851
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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