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CS-W001157 4
Total: USD 88.00

1-Hydroxy-2-butanone

  • CAS No. 5077-67-8

  • Cat. No. CS-W005327
  • Purity≥95%
  • MDL No.MFCD00010259

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

1-Hydroxy-2-butanone|CS-W005327

Structure of 5077-67-8

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General Information

  • CAS No. 5077-67-8
  • Cat. No. CS-W005327
  • Purity ≥95%
  • MDL No. MFCD00010259
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₈O₂
  • Molecular Weight 88.11
  • Synonym(s) None
  • SMILES CCC(CO)=O

Description

1-Hydroxy-2-butanone features a β-hydroxy ketone scaffold with enhanced stability under standard conditions. This functional group combination enables direct integration into synthetic sequences requiring controlled enolization or nucleophilic addition. The molecule exhibits favorable solubility in polar solvents and serves as a key intermediate in the construction of complex carbonyl-containing architectures.

Application

1-Hydroxy-2-butanone serves as a versatile β-hydroxy ketone building block, enabling efficient access to substituted diols and cyclic ethers via acid-catalyzed cyclization. Its bench-stable nature and compatibility with common protecting group strategies facilitate integration into multi-step syntheses. Functions effectively in aldol-type reactions and as a precursor for chiral synthons in medicinal chemistry workflows.

Synthesis

  • Route1
    • null|null
      4417-81-6
    • ~92%
    • In-stock
      1-Hydroxy-2-butanone|CS-W005327
      5077-67-8

    References

    • Nakano, Tatsuya; Umano, Shigetoshi; Kino, Yoshio; Ishii, Yasutaka; Ogawa, Masaya Journal of Organic Chemistry, 1988 , vol. 53, # 16 p. 3752 - 3757
  • Route2
    • null|null
      78-93-3
    • ~21%
    • null|null
      513-86-0
    • In-stock
      1-Hydroxy-2-butanone|CS-W005327
      5077-67-8

    References

    • El-Qisairi, Arab K; Qaseer, Hanan A Journal of Organometallic Chemistry, 2002 , vol. 659, # 1-2 p. 50 - 55
  • Route3
    • null|null
      6117-91-5
    • ~3%
    • null|null
      107-89-1
    • In-stock
      4-Hydroxy-2-butanone|CS-0044370
      590-90-9
    • In-stock
      1-Hydroxy-2-butanone|CS-W005327
      5077-67-8
    • null|null
      123-73-9

    References

    • Zaw, Kyaw; Henry, Patrick M. Journal of Organic Chemistry, 1990 , vol. 55, # 6 p. 1842 - 1847

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P261-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   -0.0422
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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