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CS-W001157 4
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3-(1-Benzofuran-2-yl)propanoic acid

  • CAS No. 21683-86-3

  • Cat. No. CS-0073160
  • Molecule weight190.20
  • Purity≥97%
  • MDL No.MFCD07690609

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

3-(1-Benzofuran-2-yl)propanoic acid|CS-0073160

Structure of 21683-86-3

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General Information

  • CAS No. 21683-86-3
  • Cat. No. CS-0073160
  • Purity ≥97%
  • MDL No. MFCD07690609
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₃
  • Molecular Weight 190.20
  • Synonym(s) 3-(Benzofuran-2-yl)propanoic acid
  • SMILES O=C(O)CCC1=CC2=C(C=CC=C2)O1

Description

This 3-(1-benzofuran-2-yl)propanoic acid features a fused heterocyclic benzofuran core linked to a propanoic acid side chain, enabling direct integration into bioactive scaffolds. The electron-rich benzofuran moiety enhances π-stacking potential in target binding, while the carboxylic acid group provides a handle for derivatization.

Application

3-(1-Benzofuran-2-yl)propanoic acid serves as a versatile building block for synthesizing bioactive heterocycles and pharmaceutical intermediates. Its conjugated aryl-alkyl carboxylic acid functionality enables direct derivatization via amide, ester, or Weinreb amide formation. The benzofuran moiety imparts structural rigidity and π-stacking potential, enhancing binding affinity in target-directed synthesis. Bench-stable and readily purified by recrystallization, it functions reliably in standard coupling protocols and is compatible with diverse reaction conditions.

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   50.44
  • LogP   2.45
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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