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CS-W001157 4
Total: USD 88.00

3-Methylpentane-1,5-diol

  • CAS No. 4457-71-0

  • Cat. No. CS-0188324
  • Purity≥98%
  • MDL No.None

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

3-Methylpentane-1,5-diol|CS-0188324

Structure of 4457-71-0

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General Information

  • CAS No. 4457-71-0
  • Cat. No. CS-0188324
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₄O₂
  • Molecular Weight 118.17
  • Synonym(s) 3-Methyl-1,5-pentanediol
  • SMILES CC(CCO)CCO

Application

3-Methylpentane-1,5-diol serves as a versatile diol scaffold for the synthesis of biologically relevant heterocycles and polymer precursors. Its branched aliphatic structure provides enhanced stability and favorable solubility profiles, enabling efficient cyclization reactions and compatibility with common protecting group strategies. The molecule facilitates straightforward functionalization at both primary hydroxyl termini, supporting applications in medicinal chemistry lead optimization and materials development.

Synthesis

  • Route1
    • 4-Methyltetrahydro-2H-pyran-2-ol|CS-1145537
      18653-57-1
    • ~%
    • 4-methyltetrahydro-2H-pyran-2-one|CS-0007022
      1121-84-2
    • In-stock
      3-Methylpentane-1,5-diol|CS-0188324
      4457-71-0
    • null|null
      956007-32-2

    References

    • Kuraray Co., Ltd. Patent: EP2017248 A1, 2009 ; Location in patent: Page/Page column 5-6 ;
  • Route2

    References

    • Harusawa, Shinya; Takemura, Shigetaka; Osaki, Hirotaka; Yoneda, Ryuji; Kurihara, Takushi Tetrahedron, 1993 , vol. 49, # 35 p. 7657 - 7666
  • Route3
    • null|null
      2018-45-3
    • ~64%
    • In-stock
      3-Methylpentane-1,5-diol|CS-0188324
      4457-71-0

    References

    • Devekki, A. V.; Koshelev, Yu. N.; Malov, Yu. I.; Devekki, A. B.; Strashnova, G. M. J. Gen. Chem. USSR (Engl. Transl.), 1983 , vol. 53, # 11 p. 2652 - 2653,2392 - 2393

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

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   0.3873
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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