Cas no 69362-50-1 (3,5-Octanedione, 2-methyl-)

3,5-Octanedione, 2-methyl-, is a diketone compound characterized by its methyl-substituted octanedione structure. This chemical is primarily utilized in organic synthesis and coordination chemistry due to its ability to act as a bidentate ligand, forming stable chelate complexes with metal ions. Its β-diketone functionality makes it valuable in the preparation of heterocyclic compounds and as an intermediate in pharmaceutical and agrochemical applications. The methyl group at the 2-position enhances its reactivity and selectivity in certain synthetic pathways. The compound exhibits moderate solubility in common organic solvents, facilitating its use in various reaction conditions. Its stability and well-defined structure contribute to its reliability in research and industrial processes.
3,5-Octanedione, 2-methyl- structure
3,5-Octanedione, 2-methyl- structure
Product Name:3,5-Octanedione, 2-methyl-
CAS No:69362-50-1
MF:C9H16O2
MW:156.222143173218
CID:391887
PubChem ID:15122479
Update Time:2025-05-24

3,5-Octanedione, 2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3,5-Octanedione, 2-methyl-
    • 2-methyloctane-3,5-dione
    • CS-0273561
    • EN300-70273
    • SCHEMBL6269143
    • DTXSID30568562
    • AKOS004115252
    • 69362-50-1
    • Inchi: 1S/C9H16O2/c1-4-5-8(10)6-9(11)7(2)3/h7H,4-6H2,1-3H3
    • InChI Key: INUNJASOGBWEJK-UHFFFAOYSA-N
    • SMILES: O=C(CC(CCC)=O)C(C)C

Computed Properties

  • Exact Mass: 156.11508
  • Monoisotopic Mass: 156.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 148
  • 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: 1.7
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

3,5-Octanedione, 2-methyl- Pricemore >>

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Additional information on 3,5-Octanedione, 2-methyl-

Professional Introduction to 3,5-Octanedione, 2-methyl- (CAS No. 69362-50-1)

The compound 3,5-Octanedione, 2-methyl-, identified by the Chemical Abstracts Service Number (CAS No.) 69362-50-1, is a significant molecule in the realm of organic chemistry and biochemical applications. This ketone derivative, characterized by its eight-carbon backbone with a methyl group at the 2-position and double ketone groups at the 3 and 5 positions, exhibits unique chemical properties that make it valuable in various synthetic and analytical contexts.

From a structural perspective, the presence of two ketone functional groups enhances the reactivity of 3,5-Octanedione, 2-methyl-, making it a versatile intermediate in organic synthesis. The electron-withdrawing nature of the carbonyl groups facilitates nucleophilic addition reactions, while the methyl substituent at the 2-position influences electronic distribution and steric interactions. These features have been exploited in the development of novel synthetic pathways and in the synthesis of more complex molecules.

In recent years, research into 3,5-Octanedione, 2-methyl- has been particularly noteworthy in the field of biochemical applications. Studies have demonstrated its potential role as a precursor in the synthesis of bioactive molecules, including certain pharmaceutical intermediates. The compound’s ability to undergo further functionalization has made it a subject of interest for researchers developing new therapeutic agents. For instance, modifications to its structure can yield derivatives with enhanced bioavailability or targeted biological activity.

One of the most compelling aspects of 3,5-Octanedione, 2-methyl- is its utility in analytical chemistry. Its distinct spectral characteristics allow for precise identification and quantification using techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). These analytical methods are crucial for ensuring the purity and consistency of chemical products, particularly in pharmaceutical manufacturing where impurities can have significant consequences.

The industrial significance of 3,5-Octanedione, 2-methyl- extends beyond academic research. Its incorporation into various chemical processes underscores its importance as a building block in fine chemical synthesis. Manufacturers leveraging this compound benefit from its well-documented reactivity and stability under standard conditions. This reliability makes it an attractive choice for industrial applications where consistency is paramount.

Advances in green chemistry have also highlighted the environmental benefits of utilizing compounds like 3,5-Octanedione, 2-methyl-. Efforts to develop more sustainable synthetic routes have led to innovations that minimize waste and reduce energy consumption. These developments align with broader industry trends toward eco-friendly practices and underscore the compound’s role in advancing sustainable chemistry.

The future prospects for 3,5-Octanedione, 2-methyl- are promising, with ongoing research exploring new applications and refining existing synthetic methodologies. As our understanding of molecular interactions deepens, so too does our ability to harness this compound’s potential. Whether in pharmaceutical development or material science, 3,5-Octanedione, 2-methyl- (CAS No. 69362-50-1) remains a cornerstone of modern chemical innovation.

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