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CS-W001157 4
Total: USD 88.00

3,3-Dimethylpiperazin-2-one

  • CAS No. 22476-74-0

  • Cat. No. CS-W021790
  • Molecule weight128.17
  • Purity≥97%
  • MDL No.MFCD01701783

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

3,3-Dimethylpiperazin-2-one|CS-W021790

Structure of 22476-74-0

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General Information

  • CAS No. 22476-74-0
  • Cat. No. CS-W021790
  • Purity ≥97%
  • MDL No. MFCD01701783
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂N₂O
  • Molecular Weight 128.17
  • Synonym(s) 2,2-dimethyl-3-oxopiperazine
  • SMILES O=C1NCCNC1(C)C

Description

3,3-Dimethylpiperazin-2-one features a sterically hindered piperazinone core with enhanced stability and solubility in organic media. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds, serving as a key building block for bioactive compounds. The dimethyl substitution prevents undesired side reactions while improving metabolic resilience.

Application

3,3-Dimethylpiperazin-2-one serves as a versatile scaffold in medicinal chemistry, enabling the construction of diverse heterocyclic systems. Its stability and compatibility with standard synthetic transformations facilitate efficient functionalization at multiple sites. The molecule functions as a key building block for bioactive compounds, particularly in the development of kinase inhibitors and CNS-targeted therapeutics, owing to its favorable pharmacophore profile and metabolic resilience.

Synthesis

  • Route1
    • null|null
      600-00-0
    • null|null
      107-15-3
    • ~62%
    • In-stock
      3,3-Dimethylpiperazin-2-one|CS-W021790
      22476-74-0

    References

    • Benjahad, Abdellah; Benhaddou, Rachida; Granet, Robert; Kaouadji, Mourad; Krausz, Pierre; et al. Tetrahedron Letters, 1994 , vol. 35, # 51 p. 9545 - 9548
  • Route2
    • null|null
      600-00-0
    • ~%
    • In-stock
      3,3-Dimethylpiperazin-2-one|CS-W021790
      22476-74-0

    References

    • US4251438 A1, ;
  • Route3
    • null|null
      107-15-3
    • null|null
      75-86-5
    • ~%
    • In-stock
      3,3-Dimethylpiperazin-2-one|CS-W021790
      22476-74-0

    References

    • US2700668 , ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   41.13
  • LogP   -0.5156
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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