Cas no 1862724-21-7 (1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione)

1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione is a specialized diketone compound featuring a cyclopropyl and isobutyl substituent, which imparts unique steric and electronic properties. Its structure makes it a valuable intermediate in organic synthesis, particularly for constructing complex cyclic systems or serving as a precursor in pharmaceutical and agrochemical applications. The presence of the 1,3-dione moiety allows for versatile reactivity, including chelation with metals or participation in condensation reactions. The cyclopropyl group enhances stability while contributing to constrained conformational flexibility, which can be advantageous in designing bioactive molecules. This compound is typically handled under controlled conditions due to its potential sensitivity to air or moisture.
1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione structure
1862724-21-7 structure
Product Name:1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione
CAS No:1862724-21-7
MF:C11H18O2
MW:182.259423732758
CID:5913618
PubChem ID:165483672
Update Time:2025-08-05

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

Names and Identifiers

    • 1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione
    • EN300-1126164
    • 1862724-21-7
    • 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione
    • Inchi: 1S/C11H18O2/c1-7(2)6-10(8(3)12)11(13)9-4-5-9/h7,9-10H,4-6H2,1-3H3
    • InChI Key: PFUJGCXWXZWIJL-UHFFFAOYSA-N
    • SMILES: O=C(C(C(C)=O)CC(C)C)C1CC1

Computed Properties

  • Exact Mass: 182.130679813g/mol
  • Monoisotopic Mass: 182.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 214
  • 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
  • Topological Polar Surface Area: 34.1?2

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

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

Research Brief on 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione (CAS: 1862724-21-7) in Chemical Biology and Pharmaceutical Applications

1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione (CAS: 1862724-21-7) is a novel diketone compound that has recently garnered attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique cyclopropyl and isobutyl substituents, exhibits promising potential as a scaffold for drug development, particularly in the modulation of enzymatic activity and protein-protein interactions. Recent studies have explored its synthetic pathways, physicochemical properties, and biological activities, positioning it as a candidate for further investigation in therapeutic applications.

The synthesis of 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione has been optimized to achieve high yield and purity, as reported in recent literature. Key steps involve the condensation of cyclopropyl methyl ketone with isobutyryl derivatives under controlled conditions, followed by purification via column chromatography. Advanced spectroscopic techniques, including NMR and mass spectrometry, have confirmed the structural integrity of the compound, with CAS registry number 1862724-21-7 serving as a unique identifier in chemical databases.

Preliminary biological evaluations have revealed that this diketone exhibits inhibitory activity against certain kinases and proteases, which are critical targets in oncology and inflammatory diseases. Molecular docking studies suggest that the cyclopropyl group enhances binding affinity to hydrophobic pockets in enzyme active sites, while the diketone moiety facilitates chelation of metal ions essential for catalytic activity. These findings underscore the compound's potential as a lead structure for the development of enzyme inhibitors.

In addition to its enzymatic modulation, 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione has shown promise in metabolic studies. Recent in vitro assays demonstrated its ability to interfere with lipid metabolism pathways, potentially offering applications in metabolic disorder therapeutics. Researchers have also investigated its stability under physiological conditions, noting its moderate half-life in plasma, which could be optimized through prodrug strategies or formulation advancements.

Future research directions for this compound include structure-activity relationship (SAR) studies to refine its pharmacological profile, as well as in vivo efficacy and toxicity assessments. Collaborative efforts between academic and industrial laboratories are expected to accelerate its translation into preclinical candidates. The integration of computational chemistry and high-throughput screening platforms may further elucidate its mechanism of action and off-target effects.

In conclusion, 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione (CAS: 1862724-21-7) represents a versatile chemical entity with multifaceted applications in drug discovery. Its synthetic accessibility, combined with emerging biological data, positions it as a compelling subject for ongoing research. This brief highlights the need for interdisciplinary collaboration to fully exploit its therapeutic potential and address current challenges in bioavailability and target selectivity.

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