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CS-W001157 4
Total: USD 88.00

2-Methoxy-5-(methylsulfonyl)benzoic acid

  • CAS No. 50390-76-6

  • Cat. No. CS-0041838
  • Molecule weight230.24
  • Purity≥98%
  • MDL No.None

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

2-Methoxy-5-(methylsulfonyl)benzoic acid|CS-0041838

Structure of 50390-76-6

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General Information

  • CAS No. 50390-76-6
  • Cat. No. CS-0041838
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₅S
  • Molecular Weight 230.24
  • Synonym(s) 4-Methoxy-3-Carboxymethylbenzene Sulponate
  • SMILES O=C(O)C1=CC(S(=O)(C)=O)=CC=C1OC

Description

2-Methoxy-5-(methylsulfonyl)benzoic acid features a polar, electron-withdrawing methylsulfonyl group paired with a methoxy substituent, enhancing solubility and metabolic stability. This combination imparts strong hydrogen-bonding capacity and directional electronic effects, making it ideal for constructing bioactive scaffolds in medicinal chemistry and pharmaceutical process development.

Application

2-Methoxy-5-(methylsulfonyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and drug-like scaffolds. Its orthogonal functional groups—carboxylic acid, methoxy, and methylsulfonyl—facilitate diverse downstream transformations, including amide coupling, Suzuki-Miyaura cross-coupling, and electrophilic substitution. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for high-throughput synthesis and process development.

Synthesis

  • Route1
    • In-stock
      5-Chlorosulfonyl-2-methoxybenzoic acid|CS-0040598
      51904-91-7
    • null|null
      79-11-8
    • ~%
    • In-stock
      2-Methoxy-5-(methylsulfonyl)benzoic acid|CS-0041838
      50390-76-6

    References

    • Brown, Richard W. Journal of Organic Chemistry, 1991 , vol. 56, # 16 p. 4974 - 4976
  • Route2
    • 4-Methoxy-3-Methylphenyl methyl sulfide|CS-0743773
      50390-78-8
    • ~%
    • In-stock
      2-Methoxy-5-(methylsulfonyl)benzoic acid|CS-0041838
      50390-76-6

    References

    • Shah; Bhatt; Kanga Journal of the Chemical Society, 1933 , p. 1375,1379 Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1934 , vol. 3/2, p. 155
  • Route3
    • null|null
      61694-97-1
    • ~%
    • In-stock
      2-Methoxy-5-(methylsulfonyl)benzoic acid|CS-0041838
      50390-76-6

    References

    • Shah; Bhatt; Kanga Journal of the Chemical Society, 1933 , p. 1375,1379 Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1934 , vol. 3/2, p. 155

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   80.67
  • LogP   0.7969
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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