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CS-W001157 4
Total: USD 88.00

2-(4-(Ethylsulfonyl)phenyl)acetic acid

  • CAS No. 383135-47-5

  • Cat. No. CS-W005727
  • Purity≥98%
  • MDL No.MFCD02664818

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

2-(4-(Ethylsulfonyl)phenyl)acetic acid|CS-W005727

Structure of 383135-47-5

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General Information

  • CAS No. 383135-47-5
  • Cat. No. CS-W005727
  • Purity ≥98%
  • MDL No. MFCD02664818
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₄S
  • Molecular Weight 228.27
  • Synonym(s) 4-(ethylsulfonyl)Benzeneacetic acid
  • SMILES CCS(=O)(=O)C1=CC=C(CC(O)=O)C=C1

Description

This ethylsulfonyl-substituted phenylacetic acid features a polar sulfonate group enhancing water solubility and metabolic stability. The para-positioned electron-withdrawing sulfonyl moiety modulates reactivity, enabling direct incorporation into bioactive scaffolds. Bench-stable and compatible with standard coupling protocols, it serves as a robust building block for pharmaceutical intermediates and functional materials.

Application

2-(4-(Ethylsulfonyl)phenyl)acetic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ethylsulfonyl group provides enhanced solubility and metabolic stability, while the acetic acid functionality enables facile derivatization via esterification, amidation, or decarboxylation. The molecule exhibits excellent bench stability and compatibility with standard coupling reactions, facilitating efficient integration into medicinal chemistry campaigns.

Synthesis

  • Route1

    References

    • WO2012/28100 A1, ; WO 2012/028100 A1
  • Route2
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      1235544-51-0
    • ~%
    • In-stock
      2-(4-(Ethylsulfonyl)phenyl)acetic acid|CS-W005727
      383135-47-5

    References

    • WO2012/28100 A1, ; WO 2012/028100 A1
  • Route3

    References

    • WO2012/27965 A1, ; WO 2012/027965 A1 WO2012/28100 A1, ; WO 2012/028100 A1 WO2012/100732 A1, ; WO 2012/100732 A1 WO2012/100734 A1, ; WO 2012/100734 A1

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   71.44
  • LogP   1.1073
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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