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CS-W001157 4
Total: USD 88.00

4-Butylbenzoic acid

  • CAS No. 20651-71-2

  • Cat. No. CS-W017317
  • Purity≥98%
  • MDL No.MFCD00002571

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

4-Butylbenzoic acid|CS-W017317

Structure of 20651-71-2

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General Information

  • CAS No. 20651-71-2
  • Cat. No. CS-W017317
  • Purity ≥98%
  • MDL No. MFCD00002571
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) 4-n-Butylbenzoic acid
  • SMILES O=C(O)C1=CC=C(CCCC)C=C1

Description

4-Butylbenzoic acid is a bench-stable, electron-rich aromatic carboxylic acid featuring a linear alkyl chain that enhances solubility in organic solvents. This structural motif enables efficient integration into pharmaceutical intermediates and functional materials, where controlled polarity and steric profile are critical.

Application

4-Butylbenzoic acid serves as a versatile building block in medicinal chemistry and materials science, offering a robust aromatic core with enhanced lipophilicity due to the alkyl chain. It functions reliably in amide coupling, esterification, and Suzuki-type cross-coupling reactions, enabling efficient access to bioactive compounds and functional polymers. The compound exhibits good bench stability and facilitates straightforward purification via recrystallization or chromatography.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      1-Bromo-4-butylbenzene|CS-W014978
      41492-05-1
    • ~82%
    • In-stock
      4-Butylbenzoic acid|CS-W017317
      20651-71-2

    References

    • Intitut Català d'Investigació Química (ICIQ) Patent: EP2311788 A1, 2011 ; Location in patent: Page/Page column 6-7 ;
  • Route2
    • null|null
      124-38-9
    • In-stock
      1-Bromo-4-butylbenzene|CS-W014978
      41492-05-1
    • null|null
      557-20-0
    • ~18%
    • null|null
      104-51-8
    • null|null
      15181-08-5
    • In-stock
      4-Butylbenzoic acid|CS-W017317
      20651-71-2

    References

    • EP2311788 A1, ; Page/Page column 5-6 ;
  • Route3
    • null|null
      124-38-9
    • In-stock
      1-Bromo-4-butylbenzene|CS-W014978
      41492-05-1
    • ~63%
    • null|null
      104-51-8
    • In-stock
      4-Butylbenzoic acid|CS-W017317
      20651-71-2

    References

    • EP2311788 A1, ; Page/Page column 5-6 ;

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   37.3
  • LogP   2.7274
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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