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CS-W001157 4
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5-Methylpiperidin-2-one

  • CAS No. 3298-16-6

  • Cat. No. CS-0009361
  • Purity≥97%
  • MDL No.MFCD13178700

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

5-Methylpiperidin-2-one|CS-0009361

Structure of 3298-16-6

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General Information

  • CAS No. 3298-16-6
  • Cat. No. CS-0009361
  • Purity ≥97%
  • MDL No. MFCD13178700
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁NO
  • Molecular Weight 113.16
  • Synonym(s) 5-METHYL-2-PIPERIDINONE
  • SMILES O=C1NCC(C)CC1

Description

5-Methylpiperidin-2-one is a nitrogen-containing heterocycle featuring a ketone at the 2-position and a methyl group at the 5-position. This scaffold imparts enhanced lipophilicity and metabolic stability, making it valuable in medicinal chemistry for constructing bioactive molecules with improved membrane permeability and pharmacokinetic profiles.

Application

5-Methylpiperidin-2-one serves as a versatile scaffold in medicinal chemistry, enabling efficient access to nitrogen-containing heterocycles through standard functionalization. Its amide functionality and adjacent stereogenic center facilitate diverse transformations, including reductive amination and nucleophilic substitution, while offering good bench stability and compatibility with common reaction conditions. The molecule functions effectively as a building block for bioactive compounds and API intermediates.

Synthesis

  • Route1
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      172847-13-1
    • ~%
    • In-stock
      4-Methylpiperidin-2-one|CS-0052341
      4720-64-3
    • In-stock
      5-Methylpiperidin-2-one|CS-0009361
      3298-16-6

    References

    • WO2011/75699 A2, ; Page/Page column 149 ; WO 2011/075699 A1
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 63, # 14 p. 4792 - 4801
  • Route3
    • null|null
      626-56-2
    • ~%
    • In-stock
      2-Methyl-5-pentanelactam|CS-0186670
      3768-43-2
    • In-stock
      5-Methylpiperidin-2-one|CS-0009361
      3298-16-6

    References

    • Synthetic Communications, , vol. 18, # 12 p. 1331 - 1338

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   29.1
  • LogP   0.5325
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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