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CS-W001157 4
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2-(4-Chlorophenyl)-2-methylpropanoic acid

  • CAS No. 6258-30-6

  • Cat. No. CS-0103686
  • Purity≥98%
  • MDL No.MFCD00044814

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

2-(4-Chlorophenyl)-2-methylpropanoic acid|CS-0103686

Structure of 6258-30-6

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General Information

  • CAS No. 6258-30-6
  • Cat. No. CS-0103686
  • Purity ≥98%
  • MDL No. MFCD00044814
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO₂
  • Molecular Weight 198.65
  • Synonym(s) 2-(4-CHLOROPHENYL)-2-METHYLPROPIONIC ACID
  • SMILES O=C(O)C(C)(C)C1=CC=C(Cl)C=C1

Description

This sterically hindered carboxylic acid features a para-chlorophenyl group that enhances electron-withdrawing character and improves metabolic stability. It serves as a key building block in pharmaceutical synthesis, particularly for nonsteroidal anti-inflammatory drug (NSAID) analogs, where the chlorinated aromatic moiety contributes to target receptor affinity.

Application

2-(4-Chlorophenyl)-2-methylpropanoic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of biologically active compounds through standard carboxylic acid transformations. Its sterically hindered α-carbon enhances metabolic stability, while the para-chlorophenyl group provides favorable lipophilic character and synthetic versatility. The compound exhibits excellent bench stability and facilitates efficient derivatization via amide, ester, or acyl chloride formation, making it well-suited for high-throughput screening campaigns and API development workflows.

Synthesis

  • Route1
    • null|null
      16703-39-2
    • ~%
    • In-stock
      2-(4-Chlorophenyl)-2-methylpropanoic acid|CS-0103686
      6258-30-6

    References

    • Journal of Pharmaceutical Sciences, , vol. 53, p. 298 - 301
  • Route2
    • Phenaglycodol|CS-0026769
      79-93-6
    • ~%
    • In-stock
      2-(4-Chlorophenyl)-2-methylpropanoic acid|CS-0103686
      6258-30-6

    References

    • Journal of Pharmaceutical Sciences, , vol. 53, p. 298 - 301
  • Route3
    • 2-(4-Chlorophenyl)-2-methylpropanenitrile|CS-0214917
      30568-32-2
    • ~%
    • In-stock
      2-(4-Chlorophenyl)-2-methylpropanoic acid|CS-0103686
      6258-30-6

    References

    • Bulletin de la Societe Chimique de France, , p. 932

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-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7022
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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