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CS-W001157 4
Total: USD 88.00

3-Hydroxy-5-(trifluoromethyl)benzoic acid

  • CAS No. 328-69-8

  • Cat. No. CS-W015347
  • Purity≥98%
  • MDL No.MFCD07368783

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

3-Hydroxy-5-(trifluoromethyl)benzoic acid|CS-W015347

Structure of 328-69-8

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General Information

  • CAS No. 328-69-8
  • Cat. No. CS-W015347
  • Purity ≥98%
  • MDL No. MFCD07368783
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₃
  • Molecular Weight 206.12
  • Synonym(s) Benzoic acid, 3-hydroxy-5-(trifluoromethyl)-
  • SMILES O=C(O)C1=CC(C(F)(F)F)=CC(O)=C1

Description

3-Hydroxy-5-(trifluoromethyl)benzoic acid features a strategically positioned hydroxyl group and a strongly electron-withdrawing trifluoromethyl substituent, enhancing its utility in medicinal chemistry. The carboxylic acid functionality enables direct coupling reactions, while the ortho-hydroxyl facilitates chelation or intramolecular interactions. This combination delivers enhanced solubility and metabolic stability in bioactive scaffolds.

Application

3-Hydroxy-5-(trifluoromethyl)benzoic acid serves as a versatile building block for medicinal chemistry and agrochemical synthesis, enabling direct incorporation of both phenolic and carboxylic acid functionalities. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the ortho-hydroxyl facilitates downstream derivatization via esterification, ether formation, or metal-catalyzed coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization, supporting its use in scalable synthetic routes.

Synthesis

  • Route1
    • 3-(Benzyloxy)-5-(trifluoromethyl)benzoic acid|CS-1165951
      53985-39-0
    • ~64%
    • In-stock
      3-Hydroxy-5-(trifluoromethyl)benzoic acid|CS-W015347
      328-69-8

    References

    • LG LIFE SCIENCES, LTD. Patent: WO2007/58504 A1, 2007 ; Location in patent: Page/Page column 78 ;
  • Route2

    References

    • WO2007/64045 A1, ; Page/Page column 341-342 ; WO 2007/064045 A1

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   2.1092
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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