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CS-W001157 4
Total: USD 88.00

4-Propylbenzoic acid

  • CAS No. 2438-05-3

  • Cat. No. CS-0076861
  • Purity≥97%
  • MDL No.None

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

4-Propylbenzoic acid|CS-0076861

Structure of 2438-05-3

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General Information

  • CAS No. 2438-05-3
  • Cat. No. CS-0076861
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) benzoic acid, 4-propyl-
  • SMILES O=C(O)C1=CC=C(CCC)C=C1

Description

4-Propylbenzoic 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-Propylbenzoic acid serves as a versatile building block in medicinal chemistry and materials science, offering a stable aromatic core with enhanced lipophilicity due to the propyl substituent. It facilitates direct functionalization at the carboxylic acid group and participates reliably in esterification, amide coupling, and Suzuki-type cross-coupling reactions. The compound exhibits good bench stability, ease of purification, and compatibility with standard synthetic workflows, making it a practical choice for scaffold diversification and API intermediate synthesis.

Synthesis

  • Route1
    • Methyl 4-propylbenzoate|CS-0672441
      81631-63-2
    • ~94%
    • In-stock
      4-Propylbenzoic acid|CS-0076861
      2438-05-3

    References

    • Wei, Benmei; Zhang, Zhiyong; Dai, Zhiqun; Guan, Jintao Asian Journal of Chemistry, 2013 , vol. 25, # 11 p. 6404 - 6406
  • Route2

    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 34, p. 101
  • Route3
    • null|null
      79-37-8
    • null|null
      103-65-1
    • ~%
    • In-stock
      4-Propylbenzoic acid|CS-0076861
      2438-05-3

    References

    • Nature (London, United Kingdom), , vol. 162, p. 526 Journal of the Chemical Society, , p. 520

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   2.3373
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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