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CS-W001157 4
Total: USD 88.00

4-Benzenesulfonyl-butyric acid

  • CAS No. 6178-52-5

  • Cat. No. CS-0071617
  • Purity≥98%
  • MDL No.MFCD07402815

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

4-Benzenesulfonyl-butyric acid|CS-0071617

Structure of 6178-52-5

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General Information

  • CAS No. 6178-52-5
  • Cat. No. CS-0071617
  • Purity ≥98%
  • MDL No. MFCD07402815
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₄S
  • Molecular Weight 228.26
  • Synonym(s) OTAVA-BB 1137501
  • SMILES O=S(C1=CC=CC=C1)(CCCC(O)=O)=O

Description

4-Benzenesulfonyl-butyric acid features a sulfonated aromatic ring linked to a carboxylic acid-bearing aliphatic chain, combining strong electron-withdrawing character with enhanced solubility. This structural motif enables robust participation in synthetic transformations requiring polar, stable functional groups.

Application

4-Benzenesulfonyl-butyric acid serves as a versatile synthetic intermediate for constructing sulfonamide-containing heterocycles and bioactive scaffolds. Its benzenesulfonyl group provides strong electron-withdrawing character and enhanced stability, while the carboxylic acid functionality enables direct coupling reactions or derivatization via standard esterification, amidation, or decarboxylation protocols. The molecule exhibits good bench stability and facilitates purification through crystallization or chromatography, making it well-suited for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • 4-(Phenylthio)butanoic acid|CS-0074135
      17742-51-7
    • ~%
    • null|null
      29107-82-2
    • In-stock
      4-Benzenesulfonyl-butyric acid|CS-0071617
      6178-52-5

    References

    • Rhone-Poulenc Rorer Pharmaceuticals Inc. Patent: US6057369 A1, 2000 ; US 6057369 A
  • Route2
    • null|null
      108-98-5
    • ~%
    • In-stock
      4-Benzenesulfonyl-butyric acid|CS-0071617
      6178-52-5

    References

    • Pasto,D.J. et al. Journal of the American Chemical Society, 1966 , vol. 88, p. 2187 - 2194
  • Route3
    • null|null
      5851-37-6
    • ~%
    • In-stock
      4-Benzenesulfonyl-butyric acid|CS-0071617
      6178-52-5

    References

    • Pasto,D.J. et al. Journal of the American Chemical Society, 1966 , vol. 88, p. 2187 - 2194

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.3251
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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