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CS-W001157 4
Total: USD 88.00

4-Fluoro-3-methylbenzoic acid

  • CAS No. 403-15-6

  • Cat. No. CS-W007680
  • Purity≥97%
  • MDL No.MFCD01631424

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

4-Fluoro-3-methylbenzoic acid|CS-W007680

Structure of 403-15-6

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General Information

  • CAS No. 403-15-6
  • Cat. No. CS-W007680
  • Purity ≥97%
  • MDL No. MFCD01631424
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FO₂
  • Molecular Weight 154.14
  • Synonym(s) 4-Fluoro-m-toluic Acid
  • SMILES O=C(O)C1=CC=C(F)C(C)=C1

Description

4-Fluoro-3-methylbenzoic acid features a strategically positioned fluorine atom and methyl group on the aromatic ring, enhancing electronic effects and metabolic stability. This combination improves binding affinity in target-directed synthesis and supports efficient derivatization under standard conditions.

Application

4-Fluoro-3-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-substituted aryl motif provides enhanced metabolic stability and modulates electronic properties, while the carboxylic acid group facilitates direct coupling reactions. The compound exhibits excellent bench stability and compatibility with standard functional group transformations, making it well-suited for scalable synthesis and downstream derivatization.

Synthesis

  • Route1
    • null|null
      124-38-9
    • null|null
      82297-89-0
    • ~78%
    • In-stock
      4-Fluoro-3-methylbenzoic acid|CS-W007680
      403-15-6

    References

    • Miller, William H.; Ku, Thomas W.; Ali, Fadia E.; Bondinell, William E.; Calvo, Raul R.; Davis, Larry D.; Erhard, Karl F.; Hall, Leon B.; Huffman, William F.; Keenan, Richard M.; Kwon, Chet; Newlander, Kenneth A.; Ross, Stephen T.; Samanen, James M.; Takata, Dennis T.; Yuan, Chuan-Kui Tetrahedron Letters, 1995 , vol. 36, # 52 p. 9433 - 9436
  • Route2

    References

    • Bennetau, Bernard; Mortier, Jacques; Moyroud, Joel; Guesnet, Jean-Luc Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995 , # 10 p. 1265 - 1272
  • Route3

    References

    • Gohier, Frederic; Castanet, Anne-Sophie; Mortier, Jacques Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1501 - 1504

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.83232
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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