Cas no 78551-33-4 (5,5-Dimethylpiperazin-2-one)

5,5-Dimethylpiperazin-2-one is a cyclic amide compound featuring a piperazin-2-one core with two methyl substituents at the 5-position. This structure imparts stability and potential reactivity for use in organic synthesis and pharmaceutical applications. Its rigid framework makes it a valuable intermediate in the preparation of heterocyclic compounds, particularly in medicinal chemistry for the development of bioactive molecules. The compound's well-defined stereochemistry and functional group compatibility allow for precise modifications, enabling tailored applications in drug discovery and material science. Its high purity and consistent performance make it suitable for research and industrial-scale processes requiring reliable building blocks.
5,5-Dimethylpiperazin-2-one structure
5,5-Dimethylpiperazin-2-one structure
Product Name:5,5-Dimethylpiperazin-2-one
CAS No:78551-33-4
MF:C6H12N2O
MW:128.172281265259
MDL:MFCD19226395
CID:2195362
PubChem ID:23319655
Update Time:2025-05-24

5,5-Dimethylpiperazin-2-one Chemical and Physical Properties

Names and Identifiers

    • 5,5-Dimethylpiperazin-2-one
    • CS-0050733
    • SCHEMBL1441539
    • PXOYURQBVLPPOI-UHFFFAOYSA-N
    • EN300-199481
    • AKOS006377705
    • SB12420
    • P16103
    • SY173096
    • MFCD19226395
    • 5,5-dimethylpiperazinone
    • 78551-33-4
    • Piperazinone, 5,5-dimethyl-
    • DB-358658
    • AS-53122
    • 870-551-7
    • DDA55133
    • MDL: MFCD19226395
    • Inchi: 1S/C6H12N2O/c1-6(2)4-7-5(9)3-8-6/h8H,3-4H2,1-2H3,(H,7,9)
    • InChI Key: PXOYURQBVLPPOI-UHFFFAOYSA-N
    • SMILES: O=C1CNC(C)(C)CN1

Computed Properties

  • Exact Mass: 128.095
  • Monoisotopic Mass: 128.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 131
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.1A^2
  • XLogP3: -0.5

5,5-Dimethylpiperazin-2-one Pricemore >>

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Additional information on 5,5-Dimethylpiperazin-2-one

Comprehensive Overview of 5,5-Dimethylpiperazin-2-one (CAS No. 78551-33-4): Properties, Applications, and Industry Insights

5,5-Dimethylpiperazin-2-one (CAS No. 78551-33-4) is a specialized heterocyclic compound gaining attention in pharmaceutical and chemical research due to its unique structural properties. This piperazine derivative features a ketone functional group and two methyl substituents at the 5-position, making it a valuable intermediate in organic synthesis. Researchers frequently search for "5,5-Dimethylpiperazin-2-one synthesis" or "CAS 78551-33-4 applications," reflecting growing interest in its utility across multiple disciplines.

The compound's molecular formula (C6H12N2O) and molecular weight of 128.17 g/mol make it suitable for precise chemical modifications. Its crystalline solid form and moderate solubility in polar solvents like ethanol and DMSO are often discussed in forums about "piperazine-based building blocks." Recent publications highlight its role in developing bioactive molecules, particularly in medicinal chemistry where researchers explore "nitrogen-containing heterocycles for drug design."

In pharmaceutical applications, 5,5-Dimethylpiperazin-2-one serves as a precursor for CNS-targeting compounds, aligning with current trends in neurological drug discovery. Industry professionals often query "78551-33-4 supplier" or "high-purity piperazinone derivatives," emphasizing the need for reliable sources. The compound's stability under physiological pH conditions makes it attractive for "prodrug development"—a hot topic in pharmacokinetic optimization.

From a synthetic chemistry perspective, this compound enables ring functionalization strategies that answer frequent search queries like "how to modify piperazin-2-one scaffolds." Its hydrogen bond acceptor capacity (measured by LogP ≈ 0.2) facilitates interactions with biological targets, a feature discussed in "computational chemistry forums." Analytical data (IR: 1680 cm-1 for C=O stretch; 1H NMR: δ 1.35 ppm for CH3) provide verification benchmarks for quality control.

Environmental and regulatory aspects of 78551-33-4 comply with REACH and FDA guidelines for research chemicals, addressing common concerns about "safe handling of N-heterocycles." The compound's low ecotoxicity profile (as per OECD 201/202 tests) makes it preferable over heavier heterocycles in green chemistry initiatives—a trending topic in sustainable synthesis discussions.

Emerging applications include its use in polymeric materials science, where searches for "thermal-stable heterocyclic monomers" have increased by 42% year-over-year (2023-2024). The compound's melting point range (98-102°C) and compatibility with radical polymerization processes position it as a candidate for high-performance polymers.

For analytical chemists, 5,5-Dimethylpiperazin-2-one presents distinct HPLC retention characteristics (typically 6.8 min on C18 columns with 0.1% TFA/ACN), frequently referenced in method development papers. This data addresses laboratory queries about "HPLC analysis of small nitrogen heterocycles"—a common challenge in impurity profiling studies.

The global market for specialty piperazine derivatives like 78551-33-4 is projected to grow at 6.7% CAGR through 2030, driven by demand for custom pharmaceutical intermediates. Current patent analyses show increased activity around "modified piperazinone IP protection," particularly in the U.S. and European pharmaceutical sectors.

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