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CS-W001157 4
Total: USD 88.00

3-Benzofuraneaceticacid

  • CAS No. 64175-51-5

  • Cat. No. CS-W023059
  • Molecule weight176.17
  • Purity≥97%
  • MDL No.None

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

3-Benzofuraneaceticacid|CS-W023059

Structure of 64175-51-5

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General Information

  • CAS No. 64175-51-5
  • Cat. No. CS-W023059
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃
  • Molecular Weight 176.17
  • Synonym(s) 2-(Benzofuran-3-yl)acetic acid
  • SMILES O=C(O)CC1=COC2=CC=CC=C12

Description

3-Benzofuraneacetic acid integrates a benzofuran core with a carboxylic acid side chain, offering a rigid, planar scaffold ideal for probing bioactive molecular interactions. This compound features enhanced solubility and stability under standard conditions, enabling direct incorporation into synthetic routes targeting pharmaceutical intermediates and functional materials.

Application

3-Benzofuraneacetic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its benzofuran scaffold offers structural rigidity and favorable pharmacokinetic properties, while the carboxylic acid functionality facilitates direct derivatization via esterification, amide coupling, or decarboxylation. The compound exhibits good bench stability and compatibility with standard synthetic protocols, making it suitable for scale-up and integration into multi-step synthesis workflows.

Synthesis

  • Route1
    • Methyl 2-(benzofuran-3-yl)acetate|CS-0516955
      26278-23-9
    • ~99%
    • In-stock
      3-Benzofuraneaceticacid|CS-W023059
      64175-51-5

    References

    • Chopin, Nathalie; Gerard, Helene; Chataigner, Isabelle; Piettre, Serge R. Journal of Organic Chemistry, 2009 , vol. 74, # 3 p. 1237 - 1246
  • Route2

    References

    • Kaila, Neelu; Janz, Kristin; Huang, Adrian; Moretto, Alessandro; DeBernardo, Silvano; Bedard, Patricia W.; Tam, Steve; Clerin, Valerie; Keith Jr., James C.; Tsao, Desiree H.H.; Sushkova, Natalia; Shaw, Gray D.; Camphausen, Raymond T.; Schaub, Robert G.; Wang, Qin Journal of Medicinal Chemistry, 2007 , vol. 50, # 1 p. 40 - 64
  • Route3

    References

    • European Journal of Organic Chemistry, , # 8 p. 1885 - 1891

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-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   2.0599
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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