Cas no 1870359-53-7 (1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione)

1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione structure
1870359-53-7 structure
Product Name:1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione
CAS No:1870359-53-7
MF:C13H22O2
MW:210.312584400177
CID:5888269
PubChem ID:165484186
Update Time:2025-07-20

1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1-cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione
    • 1870359-53-7
    • EN300-1126034
    • 1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione
    • Inchi: 1S/C13H22O2/c1-4-5-12(14)11(8-9(2)3)13(15)10-6-7-10/h9-11H,4-8H2,1-3H3
    • InChI Key: WUPWLUFTXLXYSD-UHFFFAOYSA-N
    • SMILES: O=C(C(C(CCC)=O)CC(C)C)C1CC1

Computed Properties

  • Exact Mass: 210.161979940g/mol
  • Monoisotopic Mass: 210.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 34.1?2

1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione Pricemore >>

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Additional information on 1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione

Comprehensive Overview of 1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione (CAS No. 1870359-53-7)

1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione (CAS No. 1870359-53-7) is a specialized organic compound with a unique molecular structure, combining a cyclopropyl group and a 2-methylpropyl side chain attached to a hexane-1,3-dione backbone. This compound has garnered attention in pharmaceutical and agrochemical research due to its potential as a building block for synthesizing bioactive molecules. Its diketone functionality makes it versatile for applications in catalysis, material science, and drug discovery.

In recent years, the demand for cyclopropane-containing compounds has surged, driven by their role in modulating drug metabolism and improving pharmacokinetic properties. Researchers frequently search for "synthesis of 1,3-diketones" or "applications of cyclopropyl derivatives," reflecting the compound's relevance in modern chemistry. The presence of both steric hindrance and electronic effects in 1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione offers intriguing possibilities for selective reactions, a topic often explored in academic forums and patent literature.

From an industrial perspective, this compound aligns with the growing trend toward sustainable chemistry. Its potential use in green synthesis methods, such as photochemical or enzymatic transformations, is a hot topic among environmental researchers. Queries like "eco-friendly diketone derivatives" or "biodegradable chemical intermediates" highlight the intersection of this compound with sustainability goals. Analytical techniques like NMR spectroscopy and HPLC-MS are commonly employed to characterize its purity and stability, ensuring compliance with regulatory standards.

The structural complexity of 1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione also makes it a candidate for material science innovations. For instance, its chelating properties could be leveraged in designing metal-organic frameworks (MOFs) or polymer additives. Searches for "diketone-based ligands" or "advanced organic materials" underscore its multidisciplinary appeal. Furthermore, its thermal stability and solubility profile are critical parameters for formulators seeking to optimize performance in end-use applications.

In summary, 1-Cyclopropyl-2-(2-methylpropyl)hexane-1,3-dione (CAS No. 1870359-53-7) represents a compelling case study in the convergence of organic synthesis, drug development, and sustainable technology. Its multifaceted applications and alignment with contemporary research trends ensure its continued relevance in scientific and industrial contexts.

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