Cas no 52186-79-5 (ethyl 2,2-dimethylpropanecarboximidate)

Ethyl 2,2-dimethylpropanecarboximidate is a versatile imidate ester used primarily as an intermediate in organic synthesis. Its sterically hindered structure, featuring a quaternary carbon center, enhances stability and selectivity in reactions such as amidine and heterocycle formation. The ethyl ester group facilitates nucleophilic substitution, making it valuable for constructing complex molecular frameworks. This compound is particularly useful in pharmaceutical and agrochemical research, where precise functionalization is critical. Its high purity and consistent reactivity ensure reliable performance in demanding synthetic applications. Storage under inert conditions is recommended to maintain stability. Handle with standard laboratory precautions due to its sensitivity to moisture and strong acids/bases.
ethyl 2,2-dimethylpropanecarboximidate structure
52186-79-5 structure
Product Name:ethyl 2,2-dimethylpropanecarboximidate
CAS No:52186-79-5
MF:C7H15NO
MW:129.200102090836
MDL:MFCD02690984
CID:3061936
PubChem ID:2322775
Update Time:2025-11-02

ethyl 2,2-dimethylpropanecarboximidate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2,2-dimethylpropanecarboximidate
    • SCHEMBL12590880
    • AKOS008965884
    • 52186-79-5
    • NOIYXBJLQAJGHF-UHFFFAOYSA-N
    • ethyl pivalimidate
    • EN300-85174
    • MDL: MFCD02690984
    • Inchi: 1S/C7H15NO/c1-5-9-6(8)7(2,3)4/h8H,5H2,1-4H3
    • InChI Key: NOIYXBJLQAJGHF-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C)(C)C)=N

Computed Properties

  • Exact Mass: 129.115364102Da
  • Monoisotopic Mass: 129.115364102Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 102
  • 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
  • XLogP3: 2
  • Topological Polar Surface Area: 33.1?2

ethyl 2,2-dimethylpropanecarboximidate Pricemore >>

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Additional information on ethyl 2,2-dimethylpropanecarboximidate

Ethyl 2,2-Dimethylpropanecarboximidate (CAS No. 52186-79-5): Properties, Applications, and Market Insights

Ethyl 2,2-dimethylpropanecarboximidate (CAS No. 52186-79-5) is a specialized organic compound with significant applications in pharmaceutical and agrochemical synthesis. This carboximidate derivative is valued for its unique chemical properties, including its role as an intermediate in the production of various bioactive molecules. With the increasing demand for fine chemicals and custom synthesis, this compound has garnered attention in research and industrial applications.

The molecular structure of ethyl 2,2-dimethylpropanecarboximidate features an imidate ester functional group, which makes it highly reactive in nucleophilic substitution reactions. This reactivity is particularly useful in the synthesis of heterocyclic compounds, a class of molecules frequently explored in drug discovery. Researchers often utilize this compound to develop novel therapeutic agents, especially in the fields of antimicrobial and anti-inflammatory drugs.

In recent years, the compound has been studied for its potential in green chemistry applications. As industries shift toward sustainable synthesis methods, ethyl 2,2-dimethylpropanecarboximidate has been investigated as a building block for biodegradable materials and eco-friendly catalysts. This aligns with the growing trend of environmentally conscious manufacturing, a hot topic among chemists and regulatory bodies.

From a commercial perspective, the market for specialty chemicals like ethyl 2,2-dimethylpropanecarboximidate is expanding due to rising demand in the pharmaceutical sector. Companies specializing in custom chemical synthesis often stock this compound to meet the needs of research institutions and industrial clients. Its stability under standard storage conditions and compatibility with various solvents further enhance its appeal.

Analytical techniques such as NMR spectroscopy and mass spectrometry are commonly employed to verify the purity and structure of ethyl 2,2-dimethylpropanecarboximidate. Quality control is critical, especially when the compound is used in GMP-compliant processes. Suppliers typically provide detailed certificates of analysis to ensure compliance with industry standards.

Future research directions for ethyl 2,2-dimethylpropanecarboximidate may explore its utility in catalysis and material science. With advancements in computational chemistry, researchers can predict its behavior in complex reactions, accelerating the development of new applications. As the chemical industry continues to innovate, this compound is poised to play a pivotal role in next-generation synthetic methodologies.

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