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CS-W001157 4
Total: USD 88.00

4-Methylsulphonylbenzoic acid

  • CAS No. 4052-30-6

  • Cat. No. CS-W001125
  • Purity≥98%
  • MDL No.MFCD00007564

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

4-Methylsulphonylbenzoic acid|CS-W001125

Structure of 4052-30-6

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General Information

  • CAS No. 4052-30-6
  • Cat. No. CS-W001125
  • Purity ≥98%
  • MDL No. MFCD00007564
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₄S
  • Molecular Weight 200.21
  • Synonym(s) p-Methylsulfonylbenzoic acid
  • SMILES CS(C1=CC=C(C(O)=O)C=C1)(=O)=O

Description

4-Methylsulphonylbenzoic acid features a para-methylsulphonyl group that enhances solubility and metabolic stability. This electron-withdrawing substituent imparts strong acidity to the carboxylic acid moiety, enabling efficient derivatization in synthetic routes. The molecule combines robust functional group integrity with favorable handling characteristics under standard conditions.

Application

4-Methylsulphonylbenzoic acid serves as a versatile building block in medicinal chemistry and materials science, offering a stable, electron-withdrawing sulfone group ortho to a carboxylic acid functionality. Its robust bench stability and compatibility with standard coupling reactions enable efficient derivatization for API intermediates, heterocycle synthesis, and functionalized polymers.

Synthesis

  • Route1

    References

    • Wang, Xinbo; Wang, David Zhigang Tetrahedron, 2011 , vol. 67, # 19 p. 3406 - 3411
  • Route2

    References

    • Fringuelli; Pellegrino; Piermatti; Pizzo Synthetic Communications, 1994 , vol. 24, # 18 p. 2665 - 2673
  • Route3

    References

    • Webb, Kevin S. Tetrahedron Letters, 1994 , vol. 35, # 21 p. 3457 - 3460

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   0.7883
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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