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CS-W001157 4
Total: USD 88.00

4-Cyclohexylbenzoic acid

  • CAS No. 20029-52-1

  • Cat. No. CS-W015405
  • Purity≥98%
  • MDL No.MFCD00039459

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

4-Cyclohexylbenzoic acid|CS-W015405

Structure of 20029-52-1

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General Information

  • CAS No. 20029-52-1
  • Cat. No. CS-W015405
  • Purity ≥98%
  • MDL No. MFCD00039459
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₂
  • Molecular Weight 204.27
  • Synonym(s) Cyclohexybenzoicacid
  • SMILES O=C(O)C1=CC=C(C2CCCCC2)C=C1

Description

4-Cyclohexylbenzoic acid features a rigid, electron-rich aromatic core paired with a bulky cyclohexyl substituent that enhances lipophilicity and steric shielding. This structural combination improves metabolic stability and solubility in organic media, making it suitable for pharmaceutical intermediates and materials synthesis under standard bench conditions.

Application

4-Cyclohexylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard esterification, amide coupling, and Suzuki-Miyaura cross-coupling reactions. Its rigid aromatic core and lipophilic cyclohexyl substituent enhance metabolic stability and membrane permeability in drug candidates. The carboxylic acid functionality provides excellent handling for purification and derivatization, while the compound exhibits high bench stability and functional group tolerance in multistep syntheses.

Synthesis

  • Route1
    • null|null
      19920-83-3
    • ~%
    • In-stock
      4-Cyclohexylbenzoic acid|CS-W015405
      20029-52-1

    References

    • Journal of the American Chemical Society, , vol. 90, p. 3404 - 3415
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 90, p. 3404 - 3415
  • Route3
    • 1-Bromo-4-(cyclohex-1-en-1-yl)benzene|CS-0213174
      1605-17-0
    • ~%
    • In-stock
      4-Cyclohexylbenzoic acid|CS-W015405
      20029-52-1

    References

    • Journal of the American Chemical Society, , vol. 90, p. 3404 - 3415

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-P302+P352-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.4325
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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