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CS-W001157 4
Total: USD 88.00

(4-Methanesulfonylphenyl)acetic acid

  • CAS No. 90536-66-6

  • Cat. No. CS-B0763
  • Purity≥98%
  • MDL No.MFCD00216495

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

(4-Methanesulfonylphenyl)acetic acid|CS-B0763

Structure of 90536-66-6

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General Information

  • CAS No. 90536-66-6
  • Cat. No. CS-B0763
  • Purity ≥98%
  • MDL No. MFCD00216495
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₄S
  • Molecular Weight 214.24
  • Synonym(s) 2-[4-(Methylsulfonyl)phenyl]acetic acid; 4-(Methylsulfonyl)benzeneacetic acid; 4-(methyl sulfonyl)-phenyl acetic acid
  • SMILES O=C(O)CC1=CC=C(S(=O)(C)=O)C=C1

Description

This sulfonated phenylacetic acid features a methanesulfonyl group at the para position, enhancing solubility and metabolic stability. The carboxylic acid functionality enables direct conjugation or derivatization in synthetic routes. Ideal for constructing bioactive scaffolds in medicinal chemistry applications.

Application

(4-Methanesulfonylphenyl)acetic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient introduction of sulfonated aryl-acetic acid motifs. Its stability under standard reaction conditions and compatibility with common coupling protocols facilitate straightforward functionalization. The molecule functions effectively in the construction of bioactive heterocycles and drug-like scaffolds, offering predictable reactivity and ease of purification in multi-step sequences.

Synthesis

  • Route1

    References

    • Mao, Jin-Long; Ran, Xiang-Kai; Tian, Jing-Zhen; Jiao, Bo; Zhou, Hong-Lei; Chen, Li; Wang, Zhen-Guo Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 5 p. 1549 - 1553
  • Route2

    References

    • US6127545 A1, ;
  • Route3
    • null|null
      201230-82-2
    • In-stock
      1-(Bromomethyl)-4-(methylsulfonyl)benzene|CS-W002487
      53606-06-7
    • ~89%
    • In-stock
      (4-Methanesulfonylphenyl)acetic acid|CS-B0763
      90536-66-6

    References

    • Giroux; Nadeau; Han Tetrahedron Letters, 2000 , vol. 41, # 40 p. 7601 - 7604

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   0.7172
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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