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CS-W001157 4
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3-(Hydroxymethyl)pyrrolidin-2-one

  • CAS No. 76220-94-5

  • Cat. No. CS-0051681
  • Molecule weight115.13
  • Purity≥95%
  • MDL No.None

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

3-(Hydroxymethyl)pyrrolidin-2-one|CS-0051681

Structure of 76220-94-5

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General Information

  • CAS No. 76220-94-5
  • Cat. No. CS-0051681
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₂
  • Molecular Weight 115.13
  • Synonym(s) 3-(hydroxyMethyl)-2-Pyrrolidinone
  • SMILES OCC1CCNC1=O

Description

3-(Hydroxymethyl)pyrrolidin-2-one is a bench-stable, moisture-tolerant heterocyclic scaffold featuring a pendant hydroxymethyl group. This functionalized pyrrolidinone integrates readily into synthetic sequences, serving as a versatile building block for medicinal chemistry and polymer synthesis due to its balanced polarity and reactivity profile.

Application

3-(Hydroxymethyl)pyrrolidin-2-one serves as a versatile scaffold for medicinal chemistry and synthetic organic applications, enabling efficient access to bioactive heterocycles. Its pendant hydroxymethyl group facilitates selective functionalization, including oxidation, etherification, or conjugation reactions, while the pyrrolidinone core provides excellent solubility and metabolic stability. The compound exhibits robust bench stability and is compatible with standard purification methods, making it ideal for use in multi-step synthesis and library generation.

Synthesis

  • Route1

    References

    • Klutchko, Sylvester; Hoefle, Milton L.; Smith, Ronald D.; Essenburg, Arnold D.; Parker, Robert B.; et al. Journal of Medicinal Chemistry, 1981 , vol. 24, # 1 p. 104 - 109

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   -0.8852
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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