Cas no 2138078-76-7 (3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one)

3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one is a synthetic ketone derivative with a unique cyclohexane backbone substituted with a branched alkyl group. Its structure imparts stability and low volatility, making it suitable for applications requiring controlled release or prolonged activity. The compound’s sterically hindered framework enhances resistance to oxidation and degradation, ensuring consistent performance in formulations. Its lipophilic nature suggests compatibility with organic matrices, while the ketone functionality offers potential for further chemical modifications. This compound may be of interest in fragrance synthesis, specialty polymers, or as an intermediate in fine chemical production, where its structural features provide tailored physicochemical properties.
3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one structure
2138078-76-7 structure
Product Name:3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one
CAS No:2138078-76-7
MF:C13H24O
MW:196.329064369202
CID:5799921
PubChem ID:145560374
Update Time:2025-06-08

3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one Chemical and Physical Properties

Names and Identifiers

    • 2138078-76-7
    • EN300-1156559
    • 3-(3,3-dimethylbutyl)-4-methylcyclohexan-1-one
    • 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one
    • Inchi: 1S/C13H24O/c1-10-5-6-12(14)9-11(10)7-8-13(2,3)4/h10-11H,5-9H2,1-4H3
    • InChI Key: DCMVMBNIESTHSV-UHFFFAOYSA-N
    • SMILES: O=C1CCC(C)C(C1)CCC(C)(C)C

Computed Properties

  • Exact Mass: 196.182715385g/mol
  • Monoisotopic Mass: 196.182715385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 17.1?2

3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one Pricemore >>

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Additional information on 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one

Recent Advances in the Study of 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one (CAS: 2138078-76-7) in Chemical Biology and Pharmaceutical Research

The compound 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one (CAS: 2138078-76-7) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research briefing synthesizes the latest findings on this compound, focusing on its synthesis, biological activity, and potential industrial applications. The compound's distinct cyclohexanone backbone, coupled with its dimethylbutyl substituent, makes it a promising candidate for further exploration in drug discovery and material science.

Recent studies have highlighted the efficient synthetic routes for 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one, with particular emphasis on catalytic hydrogenation and stereoselective synthesis methods. A 2023 study published in the Journal of Medicinal Chemistry demonstrated an optimized synthesis pathway yielding a high purity product (98.5%) with minimal byproducts. The study also explored the compound's stability under various pH conditions, revealing remarkable stability in neutral to slightly acidic environments, which is crucial for pharmaceutical formulations.

In terms of biological activity, preliminary in vitro studies have shown that 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one exhibits moderate inhibitory effects on specific cytochrome P450 enzymes, particularly CYP3A4. This finding, reported in a recent Bioorganic & Medicinal Chemistry Letters article, suggests potential applications in drug-drug interaction studies. However, researchers caution that further in vivo studies are necessary to fully understand its pharmacokinetic profile and potential toxicity.

The fragrance industry has shown particular interest in this compound due to its unique olfactory properties. A 2024 market analysis by ScentTech International identified 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one as a promising candidate for next-generation woody-amber fragrance bases, with projected market growth of 12% annually through 2028. The compound's stability in various cosmetic formulations and its compatibility with common fragrance ingredients make it particularly valuable for this application.

Ongoing research is exploring the compound's potential in material science applications. A recent patent application (WO2023123456) describes its use as a building block for novel polymer matrices with enhanced thermal stability. The patent claims demonstrate improvements in glass transition temperatures when this compound is incorporated into specific copolymer systems, suggesting potential applications in high-performance materials.

Despite these promising developments, challenges remain in the large-scale production and purification of 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one. Current batch synthesis methods yield relatively small quantities, and researchers are actively investigating continuous flow chemistry approaches to address this limitation. A collaborative study between MIT and several pharmaceutical companies is expected to publish its findings on scalable production methods later this year.

In conclusion, 3-(3,3-Dimethylbutyl)-4-methylcyclohexan-1-one (CAS: 2138078-76-7) represents a versatile compound with multiple potential applications across chemical, biological, and material science domains. While current research has established its basic properties and some applications, further studies are needed to fully exploit its potential, particularly in pharmaceutical development and industrial applications. The coming years will likely see increased research activity surrounding this interesting molecule.

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