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CS-W001157 4
Total: USD 88.00

1-Methoxy-2-(methylsulfonyl)benzene

  • CAS No. 13736-79-3

  • Cat. No. CS-0303248
  • Molecule weight186.23
  • Purity≥97%
  • MDL No.None

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

1-Methoxy-2-(methylsulfonyl)benzene|CS-0303248

Structure of 13736-79-3

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General Information

  • CAS No. 13736-79-3
  • Cat. No. CS-0303248
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₃S
  • Molecular Weight 186.23
  • Synonym(s) None
  • SMILES COC1=CC=CC=C1S(=O)(=O)C

Description

1-Methoxy-2-(methylsulfonyl)benzene features a methoxy group ortho to a strongly electron-withdrawing methylsulfonyl moiety, creating a polarized aromatic system ideal for directed functionalization. This electronic asymmetry enhances regioselectivity in cross-coupling reactions and improves solubility in polar organic solvents. The bench-stable compound integrates seamlessly into complex synthetic sequences requiring controlled reactivity and stable intermediates.

Application

1-Methoxy-2-(methylsulfonyl)benzene serves as a versatile building block in medicinal chemistry and process development, enabling efficient access to substituted aromatic scaffolds. Its ortho-difunctionalized structure supports sequential transformations, with the methoxy group facilitating electrophilic substitution and the methylsulfonyl moiety providing enhanced solubility and metabolic stability. The compound exhibits excellent bench stability, mild reactivity under standard conditions, and compatibility with common coupling protocols, making it ideal for modular synthesis of pharmaceutical intermediates and functional materials.

Synthesis

  • Route1
    • 2-Methoxythioanisole|CS-0204744
      2388-73-0
    • ~99%
    • In-stock
      1-Methoxy-2-(methylsulfonyl)benzene|CS-0303248
      13736-79-3

    References

    • Marcos, Carlos F.; Perrio, Stephane; Slawin, Alexandra M. Z.; Thomas, Susan E.; Williams, David J. Journal of the Chemical Society, Chemical Communications, 1994 , # 6 p. 753 - 754
  • Route2
    • null|null
      681-84-5
    • null|null
      1381800-45-8
    • ~74%
    • In-stock
      1-Methoxy-2-(methylsulfonyl)benzene|CS-0303248
      13736-79-3

    References

    • Bhadra, Sukalyan; Dzik, Wojciech I.; Goossen, Lukas J. Synthesis (Germany), 2013 , vol. 45, # 17 art. no. SS-2013-Z0414-PSP, p. 2387 - 2390
  • Route3
    • 2-Methoxythioanisole|CS-0204744
      2388-73-0
    • ~0%
    • In-stock
      1-Methoxy-2-(methylsulfonyl)benzene|CS-0303248
      13736-79-3
    • null|null
      84413-73-0

    References

    • Yamaguchi, Tetsufumi; Matsumoto, Kazuhiro; Saito, Bunnai; Katsuki, Tsutomu Angewandte Chemie - International Edition, 2007 , vol. 46, # 25 p. 4729 - 4731

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   43.37
  • LogP   1.0987
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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