Cas no 1700592-08-0 (4-cyclopropanecarbonylheptane-3,5-dione)

4-cyclopropanecarbonylheptane-3,5-dione structure
1700592-08-0 structure
Product Name:4-cyclopropanecarbonylheptane-3,5-dione
CAS No:1700592-08-0
MF:C11H16O3
MW:196.242943763733
CID:5876844
PubChem ID:107431189
Update Time:2025-07-16

4-cyclopropanecarbonylheptane-3,5-dione Chemical and Physical Properties

Names and Identifiers

    • 4-cyclopropanecarbonylheptane-3,5-dione
    • 1700592-08-0
    • EN300-1125014
    • Inchi: 1S/C11H16O3/c1-3-8(12)10(9(13)4-2)11(14)7-5-6-7/h7,10H,3-6H2,1-2H3
    • InChI Key: MBRHUPHVQJXCCF-UHFFFAOYSA-N
    • SMILES: O=C(C(C(CC)=O)C(CC)=O)C1CC1

Computed Properties

  • Exact Mass: 196.109944368g/mol
  • Monoisotopic Mass: 196.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 248
  • 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: 1.2
  • Topological Polar Surface Area: 51.2?2

4-cyclopropanecarbonylheptane-3,5-dione Pricemore >>

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Additional information on 4-cyclopropanecarbonylheptane-3,5-dione

Comprehensive Overview of 4-cyclopropanecarbonylheptane-3,5-dione (CAS No. 1700592-08-0): Properties, Applications, and Industry Insights

In the realm of organic chemistry, 4-cyclopropanecarbonylheptane-3,5-dione (CAS No. 1700592-08-0) has garnered significant attention due to its unique structural features and versatile applications. This compound, characterized by a cyclopropane carbonyl moiety integrated into a heptane-3,5-dione backbone, serves as a pivotal intermediate in pharmaceutical synthesis, agrochemical development, and advanced material science. Its molecular formula and intricate stereochemistry make it a subject of ongoing research, particularly in the context of sustainable chemistry and green synthesis methodologies.

The growing demand for high-purity organic intermediates in drug discovery has positioned 4-cyclopropanecarbonylheptane-3,5-dione as a compound of interest. Researchers are exploring its potential in catalyzed asymmetric reactions, a trending topic in AI-driven molecular design. Recent studies highlight its role in optimizing chiral auxiliaries, aligning with the industry's shift toward precision synthesis. Furthermore, its compatibility with biodegradable solvents resonates with the global push for eco-friendly chemical processes, a frequently searched topic in scientific databases.

From a structural perspective, the cyclopropane ring in 4-cyclopropanecarbonylheptane-3,5-dione introduces remarkable steric constraints, which are leveraged in conformational analysis studies. Computational chemists often utilize this compound to validate molecular docking simulations, a hot topic in computational drug design forums. Its β-diketone functionality also enables chelation with metal ions, making it relevant in coordination chemistry and nanomaterial fabrication—areas frequently queried in academic search engines.

In industrial applications, CAS 1700592-08-0 is increasingly cited in patents related to photostabilizers and UV-absorbing materials, addressing the surge in demand for light-resistant polymers. Its thermal stability and low toxicity profile align with regulatory trends favoring safer chemical alternatives, a key concern among ESG (Environmental, Social, and Governance)-focused enterprises. These attributes are often highlighted in life cycle assessment (LCA) studies, another trending search term in environmental science.

Analytical techniques such as HPLC-MS and NMR spectroscopy are critical for characterizing 4-cyclopropanecarbonylheptane-3,5-dione, ensuring compliance with pharmaceutical-grade standards. The compound's chromatographic behavior is frequently discussed in method development circles, particularly for impurity profiling. This aligns with the pharmaceutical industry's emphasis on quality-by-design (QbD) principles, a dominant theme in regulatory guidelines.

Looking ahead, the integration of machine learning algorithms in predicting the reactivity of 4-cyclopropanecarbonylheptane-3,5-dione is an emerging frontier. Searches for "AI in organic synthesis" and "predictive retrosynthesis" reflect the compound's relevance in digital chemistry initiatives. Its potential in multi-step cascades and flow chemistry setups further underscores its adaptability to modern continuous manufacturing paradigms.

In summary, 4-cyclopropanecarbonylheptane-3,5-dione (CAS No. 1700592-08-0) exemplifies the intersection of structural ingenuity and practical utility. Its applications span from medicinal chemistry to advanced materials, while its study addresses contemporary challenges like sustainability and automated synthesis. As research progresses, this compound is poised to remain a cornerstone in both academic and industrial chemistry landscapes.

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