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CS-W001157 4
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3-(Methylsulfonyl)propan-1-ol

  • CAS No. 2058-49-3

  • Cat. No. CS-W004952
  • Purity≥97%
  • MDL No.MFCD01696727

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

3-(Methylsulfonyl)propan-1-ol|CS-W004952

Structure of 2058-49-3

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General Information

  • CAS No. 2058-49-3
  • Cat. No. CS-W004952
  • Purity ≥97%
  • MDL No. MFCD01696727
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₁₀O₃S
  • Molecular Weight 138.19
  • Synonym(s) 1-Propanol, 3-(methylsulfonyl)-
  • SMILES CS(=O)(=O)CCCO

Description

3-(Methylsulfonyl)propan-1-ol features a polar methylsulfonyl group flanked by a hydroxyl-bearing aliphatic chain, enabling robust solubility in aqueous and polar organic media. This combination supports its use in synthetic routes requiring stable, hydrophilic intermediates, particularly in bioconjugation and medicinal chemistry applications.

Application

3-(Methylsulfonyl)propan-1-ol serves as a versatile building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable sulfonate-containing side chain. Its hydroxyl group facilitates derivatization via esterification or ether formation, while the methylsulfonyl moiety imparts enhanced solubility and resistance to oxidative degradation. The compound exhibits excellent bench stability and compatibility with common protecting group strategies, making it well-suited for multi-step synthesis and late-stage functionalization workflows.

Synthesis

  • Route1

    References

    • JANSSEN RandD IRELAND; COOYMANS, Ludwig Paul; DEMIN, Samuel Dominique; HU, Lili; JONCKERS, Tim Hugo Maria; RABOISSON, Pierre Jean-Marie Bernard; TAHRI, Abdellah; VENDEVILLE, Sandrine Marie Helene Patent: WO2012/80449 A1, 2012 ; Location in patent: Page/Page column 20 ; WO 2012/080449 A1
  • Route2

    References

    • US2004/9995 A1, ;
  • Route3

    References

    • Zeneca Limited Patent: US6294532 B1, 2001 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
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

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   -0.5866
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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