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CS-W001157 4
Total: USD 88.00

3-(Difluoromethoxy)benzoic acid

  • CAS No. 4837-19-8

  • Cat. No. CS-W007284
  • Purity≥97%
  • MDL No.MFCD00236224

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

3-(Difluoromethoxy)benzoic acid|CS-W007284

Structure of 4837-19-8

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General Information

  • CAS No. 4837-19-8
  • Cat. No. CS-W007284
  • Purity ≥97%
  • MDL No. MFCD00236224
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₃
  • Molecular Weight 188.13
  • Synonym(s) 3--benzoesaeure
  • SMILES O=C(O)C1=CC=CC(OC(F)F)=C1

Description

3-(Difluoromethoxy)benzoic acid features a para-difluoromethoxy substituent that enhances lipophilicity and metabolic stability, making it valuable for medicinal chemistry applications. The carboxylic acid group enables direct conjugation or derivatization in synthetic routes. This compound exhibits robust bench stability and compatibility with standard organic transformations under mild conditions.

Application

3-(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 substitution pattern enhances metabolic stability and modulates lipophilicity, enabling direct incorporation into bioactive scaffolds. The compound exhibits good bench stability, facilitates straightforward derivatization via standard esterification or amide coupling protocols, and is compatible with common purification methods such as recrystallization.

Synthesis

  • Route1
    • 1-(Difluoromethoxy)-3-methylbenzene|CS-0510858
      4837-15-4
    • ~66%
    • In-stock
      3-(Difluoromethoxy)benzoic acid|CS-W007284
      4837-19-8

    References

    • Hamprecht, Gerhard; Wuerzer, Bruno; Witschel, Matthias Chimia, 2004 , vol. 58, # 3 p. 117 - 122
  • Route2
    • null|null
      76903-91-8
    • ~%
    • In-stock
      3-(Difluoromethoxy)benzoic acid|CS-W007284
      4837-19-8

    References

    • BASF Aktiengesellchaft Patent: US4832879 A1, 1989 ;
  • Route3
    • null|null
      108-39-4
    • ~%
    • In-stock
      3-(Difluoromethoxy)benzoic acid|CS-W007284
      4837-19-8

    References

    • Hamprecht, Gerhard; Wuerzer, Bruno; Witschel, Matthias Chimia, 2004 , vol. 58, # 3 p. 117 - 122

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

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