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CS-W001157 4
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3-(3-Chlorophenyl)propanoic acid

  • CAS No. 21640-48-2

  • Cat. No. CS-W016980
  • Purity≥96%
  • MDL No.MFCD01310801

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

3-(3-Chlorophenyl)propanoic acid|CS-W016980

Structure of 21640-48-2

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General Information

  • CAS No. 21640-48-2
  • Cat. No. CS-W016980
  • Purity ≥96%
  • MDL No. MFCD01310801
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₂
  • Molecular Weight 184.62
  • Synonym(s) 3-Chlorophenyl-3-propanoic acid
  • SMILES C1=C(C=CC=C1CCC(O)=O)Cl

Description

3-(3-Chlorophenyl)propanoic acid features a chlorinated phenyl ring linked via a propionic acid chain, offering enhanced lipophilicity and metabolic stability. This structural motif integrates readily into bioactive molecules, serving as a key scaffold in medicinal chemistry for compounds targeting CNS receptors and inflammatory pathways.

Application

3-(3-Chlorophenyl)propanoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient construction of biologically relevant arylalkanoic acid scaffolds. Its well-established functional group tolerance facilitates subsequent transformations such as amide coupling, esterification, and decarboxylation. The molecule exhibits good bench stability and is readily purified by recrystallization or column chromatography, supporting its use in iterative synthetic sequences and scale-up processes.

Synthesis

  • Route1

    References

    • US4073911 A1, ;
  • Route2

    References

    • Jiang, Xueliang; Chu, Lingling; Qing, Feng-Ling Journal of Organic Chemistry, 2012 , vol. 77, # 3 p. 1251 - 1257
  • Route3
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    • ~%
    • In-stock
      3-(3-Chlorophenyl)propanoic acid|CS-W016980
      21640-48-2

    References

    • Journal of the Chemical Society, , vol. 119, p. 1460

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   2.3572
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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