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CS-W001157 4
Total: USD 88.00

4,5-Dimethyl-1,3-dioxol-2-one

  • CAS No. 37830-90-3

  • Cat. No. CS-W013644
  • Purity≥98%
  • MDL No.MFCD00135139

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

4,5-Dimethyl-1,3-dioxol-2-one|CS-W013644

Structure of 37830-90-3

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General Information

  • CAS No. 37830-90-3
  • Cat. No. CS-W013644
  • Purity ≥98%
  • MDL No. MFCD00135139
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆O₃
  • Molecular Weight 114.10
  • Synonym(s) 4,5-dimethyl-1,3-dioxolene-2-one
  • SMILES CC1=C(OC(O1)=O)C

Description

4,5-Dimethyl-1,3-dioxol-2-one is a bench-stable, moisture-tolerant cyclic carbonate featuring two methyl groups that enhance solubility in polar organic solvents. This electron-deficient heterocycle serves as a selective acylating agent in peptide synthesis and coupling reactions, where its strained ring facilitates nucleophilic attack under mild conditions.

Application

4,5-Dimethyl-1,3-dioxol-2-one serves as a stable, bench-ready synthon for the construction of substituted β-lactones and heterocyclic scaffolds. Its electrophilic carbonyl functionality enables selective reactions with nucleophiles such as amines and alcohols, facilitating the synthesis of functionalized intermediates under mild conditions. The molecule exhibits excellent stability and ease of purification, making it a practical choice for iterative synthetic sequences in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      75-44-5
    • null|null
      513-86-0
    • ~56%
    • In-stock
      4,5-Dimethyl-1,3-dioxol-2-one|CS-W013644
      37830-90-3

    References

    • E. R. Squibb and Sons, Inc. Patent: US6117885 A1, 2000 ;
  • Route2
    • null|null
      32315-10-9
    • null|null
      513-86-0
    • ~42%
    • In-stock
      4,5-Dimethyl-1,3-dioxol-2-one|CS-W013644
      37830-90-3

    References

    • Sahu, Devi Prasad Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 8 p. 1722 - 1723

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.35
  • LogP   0.84964
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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