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CS-W001157 4
Total: USD 88.00

4-(Difluoromethoxy)benzoic acid

  • CAS No. 4837-20-1

  • Cat. No. CS-W016829
  • Purity≥98%
  • MDL No.MFCD00221454

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

4-(Difluoromethoxy)benzoic acid|CS-W016829

Structure of 4837-20-1

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General Information

  • CAS No. 4837-20-1
  • Cat. No. CS-W016829
  • Purity ≥98%
  • MDL No. MFCD00221454
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₃
  • Molecular Weight 188.13
  • Synonym(s) α,α-Difluoro-p-anisic Acid
  • SMILES O=C(O)C1=CC=C(OC(F)F)C=C1

Description

4-(Difluoromethoxy)benzoic acid features a para-difluoromethoxy group that imparts enhanced lipophilicity and metabolic stability, making it valuable for medicinal chemistry applications. The carboxylic acid functionality enables direct coupling reactions or salt formation, facilitating integration into bioactive molecules under standard conditions.

Application

4-(Difluoromethoxy)benzoic acid serves as a valuable building block in medicinal chemistry, offering a polar, electron-withdrawing difluoromethoxy group ortho to a carboxylic acid. This combination enables enhanced metabolic stability and modulated lipophilicity in API candidates. The compound exhibits good bench stability, facilitates straightforward derivatization via esterification or amide coupling, and demonstrates compatibility with standard coupling protocols in peptide and heterocyclic synthesis.

Synthesis

  • Route1

    References

    • De Cat,A. et al. Bulletin des Societes Chimiques Belges, 1965 , vol. 74, p. 270 - 280

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.9862
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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