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CS-W001157 4
Total: USD 88.00

4-(1-Hydroxyethyl)benzoic acid

  • CAS No. 97364-15-3

  • Cat. No. CS-W021982
  • Purity≥97%
  • MDL No.MFCD00870634

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

4-(1-Hydroxyethyl)benzoic acid|CS-W021982

Structure of 97364-15-3

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General Information

  • CAS No. 97364-15-3
  • Cat. No. CS-W021982
  • Purity ≥97%
  • MDL No. MFCD00870634
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight None
  • Synonym(s) S-4-(1-Hydroxy-ethyl)-benzoic acid
  • SMILES O=C(O)C1=CC=C(C(O)C)C=C1

Description

4-(1-Hydroxyethyl)benzoic acid features a pendant hydroxyl-bearing ethyl group at the para position, delivering enhanced solubility and reactivity compared to simple benzoic acid derivatives. This functionalization enables direct incorporation into esterification or coupling reactions under mild conditions. The molecule exhibits robust stability in aqueous and organic media, facilitating use in synthesis workflows requiring precise control over molecular architecture.

Application

4-(1-Hydroxyethyl)benzoic acid serves as a versatile synthetic intermediate for the construction of biaryl and heterocyclic scaffolds. The pendant hydroxymethyl group enables straightforward oxidation to the carboxylic acid or conversion to electrophilic species, while the aromatic carboxylate supports coupling reactions via esterification or amide formation. Its bench-stable nature and compatibility with standard protecting group strategies facilitate integration into multi-step syntheses.

Synthesis

  • Route1

    References

    • Savile, Christopher K.; Kazlauskas, Romas J. Journal of the American Chemical Society, 2005 , vol. 127, # 35 p. 12228 - 12229
  • Route2
    • 4-(1-Hydroxyethyl)benzaldehyde|CS-0089331
      80463-21-4
    • ~92%
    • In-stock
      4-(1-Hydroxyethyl)benzoic acid|CS-W021982
      97364-15-3

    References

    • Moehlmann, Lennart; Ludwig, Stefan; Blechert, Siegfried Beilstein Journal of Organic Chemistry, 2013 , vol. 9, p. 602 - 607
  • Route3

    References

    • MERCK and CO., INC. Patent: WO2008/10985 A2, 2008 ; Location in patent: Page/Page column 155 ; WO 2008/010985 A2

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

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.4381
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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