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CS-W001157 4
Total: USD 88.00

4-(Methylthio)-1-butanol

  • CAS No. 20582-85-8

  • Cat. No. CS-0204406
  • Purity≥95%
  • MDL No.MFCD00002973

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

4-(Methylthio)-1-butanol|CS-0204406

Structure of 20582-85-8

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General Information

  • CAS No. 20582-85-8
  • Cat. No. CS-0204406
  • Purity ≥95%
  • MDL No. MFCD00002973
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₂OS
  • Molecular Weight 120.21
  • Synonym(s) 4-(Methylthio)butanol
  • SMILES OCCCCSC

Description

4-(Methylthio)-1-butanol is a sulfur-containing alcohol featuring a terminal hydroxyl group and a methylthio substituent at the C4 position. This structure enables efficient incorporation into thioether-linked molecular architectures, offering enhanced solubility and stability in synthetic transformations. The molecule serves as a valuable building block for bioconjugation and polymer functionalization workflows.

Application

4-(Methylthio)-1-butanol serves as a versatile thioether-functionalized building block for the synthesis of sulfide-containing pharmaceutical intermediates and agrochemical scaffolds. Its primary alcohol functionality enables straightforward derivatization via esterification, etherification, or oxidation to aldehyde. The methylthio group exhibits good stability under standard reaction conditions and tolerates a range of functional groups, facilitating its use in multi-step synthetic sequences. This compound functions effectively in transition-metal-catalyzed coupling processes and provides access to diverse heterocyclic architectures through cyclization strategies.

Synthesis

  • Route1
    • In-stock
      4-Chlorobutan-1-ol|CS-0022417
      928-51-8
    • null|null
      5188-07-8
    • ~69%
    • In-stock
      4-(Methylthio)-1-butanol|CS-0204406
      20582-85-8

    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 22 ; WO 2012/080449 A1
  • Route2
    • null|null
      74-93-1
    • In-stock
      4-Chlorobutan-1-ol|CS-0022417
      928-51-8
    • ~%
    • In-stock
      4-(Methylthio)-1-butanol|CS-0204406
      20582-85-8

    References

    • Phytochemistry (Elsevier), , vol. 11, p. 3427 - 3431
  • Route3
    • null|null
      20582-83-6
    • ~%
    • In-stock
      4-(Methylthio)-1-butanol|CS-0204406
      20582-85-8
    • In-stock
      4-(Methylsulfanyl)butan-2-ol|CS-0242060
      13296-23-6

    References

    • Journal of Organic Chemistry, , vol. 46, # 5 p. 930 - 939

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: 3334
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.1219
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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