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CS-W001157 4
Total: USD 88.00

4-(4-Chlorophenyl)butyric acid

  • CAS No. 4619-18-5

  • Cat. No. CS-0158401
  • Purity≥98%
  • MDL No.MFCD06810494

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

4-(4-Chlorophenyl)butyric acid|CS-0158401

Structure of 4619-18-5

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General Information

  • CAS No. 4619-18-5
  • Cat. No. CS-0158401
  • Purity ≥98%
  • MDL No. MFCD06810494
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO₂
  • Molecular Weight 198.65
  • Synonym(s) 4-(4-Chlorophenyl)butanic acid
  • SMILES C(CC1=CC=C(C=C1)Cl)CC(=O)O

Description

4-(4-Chlorophenyl)butyric acid features a hydrophobic aryl group linked via a flexible aliphatic chain to a carboxylic acid terminus. This structure enables integration into bioactive molecules requiring lipophilic character and metabolic stability. The para-chloro substitution enhances electron-withdrawing effects, influencing reactivity in synthetic transformations. Suitable for pharmaceutical intermediates and materials chemistry applications under standard conditions.

Application

4-(4-Chlorophenyl)butyric acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive compounds through established coupling and functionalization protocols. Its aromatic chlorophenyl moiety provides enhanced lipophilicity and metabolic stability, while the terminal carboxylic acid facilitates amide, ester, and derivatization reactions under standard conditions. The compound exhibits excellent bench stability and is readily purified by recrystallization or chromatography, making it ideal for scalable synthesis workflows in API development and target-oriented research.

Synthesis

  • Route1
    • null|null
      127404-70-0
    • ~89%
    • In-stock
      4-(4-Chlorophenyl)butyric acid|CS-0158401
      4619-18-5

    References

    • PFIZER INC. Patent: EP259085 A1, 1988 ; EP 0259085 A1
  • Route2
    • null|null
      124-38-9
    • null|null
      1334204-43-1
    • ~%
    • In-stock
      4-(4-Chlorophenyl)butyric acid|CS-0158401
      4619-18-5

    References

    • Ohishi, Takeshi; Zhang, Liang; Nishiura, Masayoshi; Hou, Zhaomin Angewandte Chemie - International Edition, 2011 , vol. 50, # 35 p. 8114 - 8117
  • Route3
    • 6-(4-Chlorophenyl)-4,5-dihydropyridazin-3(2H)-one|CS-0440525
      1079-73-8
    • ~%
    • In-stock
      4-(4-Chlorophenyl)butyric acid|CS-0158401
      4619-18-5

    References

    • Skraup; Schwamberger Justus Liebigs Annalen der Chemie, 1928 , vol. 462, p. 147

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   2.7473
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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