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CS-W001157 4
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1-(Piperazin-1-yl)butan-1-one

  • CAS No. 18903-04-3

  • Cat. No. CS-0102696
  • Purity≥96%
  • MDL No.None

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

1-(Piperazin-1-yl)butan-1-one|CS-0102696

Structure of 18903-04-3

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General Information

  • CAS No. 18903-04-3
  • Cat. No. CS-0102696
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆N₂O
  • Molecular Weight 156.23
  • Synonym(s) 1-Butanone,1-(1-piperazinyl)
  • SMILES CCCC(N1CCNCC1)=O

Description

1-(Piperazin-1-yl)butan-1-one features a piperazine ring linked to a butanone scaffold, delivering a polar, electron-rich amine functionality. This structure enables efficient conjugation and solubility enhancement in synthetic intermediates. The molecule exhibits bench-stable handling characteristics and integrates readily into diverse molecular architectures.

Application

1-(Piperazin-1-yl)butan-1-one serves as a versatile synthetic building block for constructing bioactive heterocycles and amide-containing scaffolds. Its ketone functionality enables direct nucleophilic addition, while the piperazine ring offers multiple sites for derivatization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry campaigns.

Synthesis

  • Route1
    • null|null
      314728-81-9
    • ~%
    • In-stock
      1-(Piperazin-1-yl)butan-1-one|CS-0102696
      18903-04-3

    References

    • Manetti; Ghelardini; Bartolini; Dei; Galeotti; Gualtieri; Romanelli; Teodori Journal of Medicinal Chemistry, 2000 , vol. 43, # 23 p. 4499 - 4507
  • Route2
    • null|null
      110-85-0
    • null|null
      107-92-6
    • ~86%
    • In-stock
      1-(Piperazin-1-yl)butan-1-one|CS-0102696
      18903-04-3

    References

    • Bandgar; Bettigeri Synthetic Communications, 2004 , vol. 34, # 16 p. 2917 - 2924

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   0.2183
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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