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CS-W001157 4
Total: USD 88.00

3-(3-Hydroxyphenyl)propionic acid

  • CAS No. 621-54-5

  • Cat. No. CS-W005255
  • Purity≥98%
  • MDL No.MFCD00016554

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

3-(3-Hydroxyphenyl)propionic acid|CS-W005255

Structure of 621-54-5

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General Information

  • CAS No. 621-54-5
  • Cat. No. CS-W005255
  • Purity ≥98%
  • MDL No. MFCD00016554
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(O)CCC1=CC=CC(O)=C1

Description

3-(3-Hydroxyphenyl)propionic acid features a phenolic hydroxyl group conjugated to an aliphatic carboxylic acid, enabling versatile functionalization in bioconjugation and medicinal chemistry. This scaffold exhibits enhanced solubility and metabolic stability compared to simpler aromatic acids, facilitating use in drug discovery workflows.

Application

3-(3-Hydroxyphenyl)propionic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of bioactive scaffolds and pharmaceutical intermediates. Its ortho-hydroxylated aromatic ring facilitates downstream functionalization via oxidation or coupling reactions, while the carboxylic acid group supports amide, ester, and derivatization strategies. The compound exhibits good bench stability and is readily purified by recrystallization or chromatography, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Baenteli, Rolf; Brun, Ivan; Hall, Philip; Metternich, Rainer Tetrahedron Letters, 1999 , vol. 40, # 11 p. 2109 - 2112
  • Route2

    References

    • Russian Journal of General Chemistry, , vol. 70, # 1 p. 57 - 63
  • Route3

    References

    • Tetrahedron Asymmetry, , vol. 9, # 16 p. 2915 - 2924

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-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   57.53
  • LogP   1.4094
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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