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CS-W001157 4
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3-Methylpyrrolidin-2-one

  • CAS No. 2555-05-7

  • Cat. No. CS-W004958
  • Purity≥98%
  • MDL No.MFCD00005271

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

3-Methylpyrrolidin-2-one|CS-W004958

Structure of 2555-05-7

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General Information

  • CAS No. 2555-05-7
  • Cat. No. CS-W004958
  • Purity ≥98%
  • MDL No. MFCD00005271
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO
  • Molecular Weight 99.13
  • Synonym(s) None
  • SMILES O=C1NCCC1C

Description

3-Methylpyrrolidin-2-one is a bench-stable, moisture-tolerant heterocycle featuring a lactam core with a methyl substituent at the 3-position. This structure imparts enhanced solubility and reactivity in synthetic transformations. The molecule integrates readily into peptide mimetics and bioactive scaffolds due to its conformational rigidity and hydrogen-bonding capacity. It serves as a key building block in medicinal chemistry for targeted molecular design.

Application

3-Methylpyrrolidin-2-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles due to its favorable reactivity and metabolic stability. Its amide functionality supports diverse functionalization, while the cycloalkanone scaffold offers conformational rigidity beneficial for target binding. The compound exhibits excellent bench stability and compatibility with standard synthetic transformations, facilitating purification and scale-up in process development workflows.

Synthesis

  • Route1

    References

    • WO2011/75699 A2, ; Page/Page column 140-141 ; WO 2011/075699 A1
  • Route2

    References

    • US2011/251119 A1, ; Page/Page column 12 ;
  • Route3
    • null|null
      16507-03-2
    • ~47%
    • In-stock
      3-Methylpyrrolidin-2-one|CS-W004958
      2555-05-7

    References

    • Dunn, A. D.; Kinnear, K. I. Journal of Heterocyclic Chemistry, 1986 , vol. 23, p. 53 - 57

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   29.1
  • LogP   0.1424
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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