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4,4-Dimethylisoxazolidin-3-one

  • CAS No. 81778-07-6

  • Cat. No. CS-0067875
  • Molecule weight115.13
  • Purity≥98%
  • MDL No.MFCD21333197

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

4,4-Dimethylisoxazolidin-3-one|CS-0067875

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General Information

  • CAS No. 81778-07-6
  • Cat. No. CS-0067875
  • Purity ≥98%
  • MDL No. MFCD21333197
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₂
  • Molecular Weight 115.13
  • Synonym(s) 4,4-Dimethyl-1,2-oxazolidin-3-one
  • SMILES O=C1C(C)(CON1)C

Description

4,4-Dimethylisoxazolidin-3-one is a bench-stable, moisture-tolerant heterocycle featuring a sterically shielded lactam core. This robust scaffold integrates readily into synthetic sequences, serving as a reliable precursor for complex nitrogen-containing architectures in medicinal chemistry and materials development.

Application

4,4-Dimethylisoxazolidin-3-one serves as a stable, bench-ready synthon for the construction of nitrogen-containing heterocycles. Its constrained ring structure facilitates regioselective transformations and functions as a versatile building block in asymmetric synthesis. The dimethyl substitution enhances solubility and stability, enabling straightforward purification and compatibility with diverse functional groups under standard reaction conditions.

Synthesis

  • Route1

    References

    • Warner-Lambert Co. Patent: US5066665 A1, 1991 ; US 5066665 A
  • Route2
    • null|null
      1135686-00-8
    • ~%
    • In-stock
      4,4-Dimethylisoxazolidin-3-one|CS-0067875
      81778-07-6
    • In-stock
      Floxuridine|CS-1827
      50-91-9

    References

    • Ge, Yiyu; Wu, Xinghua; Zhang, Dazhi; Hu, Longqin Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 3 p. 941 - 944

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   0.074
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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