Cas no 1211535-68-0 (1-(5,6-Dimethylpyridin-3-YL)ethanone)

1-(5,6-Dimethylpyridin-3-yl)ethanone is a specialized organic compound featuring a pyridine core substituted with methyl groups at the 5 and 6 positions and an acetyl group at the 3 position. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. Its electron-rich pyridine ring enhances its utility in cross-coupling reactions, while the acetyl group provides a versatile handle for further functionalization. The compound's well-defined molecular framework ensures consistent performance in heterocyclic chemistry applications. High purity grades are available to meet stringent research and industrial requirements, supporting precise synthetic workflows.
1-(5,6-Dimethylpyridin-3-YL)ethanone structure
1211535-68-0 structure
Product Name:1-(5,6-Dimethylpyridin-3-YL)ethanone
CAS No:1211535-68-0
MF:C9H11NO
MW:149.189742326736
MDL:MFCD18262053
CID:4563124
PubChem ID:21702795
Update Time:2025-06-30

1-(5,6-Dimethylpyridin-3-YL)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(5,6-DIMETHYLPYRIDIN-3-YL)ETHANONE
    • AB75410
    • 1-(5,6-DIMETHYLPYRIDIN-3-YL)ETHAN-1-ONE
    • SCHEMBL6628143
    • CS-0456971
    • D93974
    • AS-62561
    • AKOS032952402
    • 1211535-68-0
    • 1-(5,6-Dimethylpyridin-3-YL)ethanone
    • MDL: MFCD18262053
    • Inchi: 1S/C9H11NO/c1-6-4-9(8(3)11)5-10-7(6)2/h4-5H,1-3H3
    • InChI Key: OKBQIMWZTMCYPB-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=CN=C(C)C(C)=C1

Computed Properties

  • Exact Mass: 149.084063974g/mol
  • Monoisotopic Mass: 149.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 156
  • 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
  • Topological Polar Surface Area: 30
  • XLogP3: 1.3

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Additional information on 1-(5,6-Dimethylpyridin-3-YL)ethanone

Comprehensive Overview of 1-(5,6-Dimethylpyridin-3-YL)ethanone (CAS No. 1211535-68-0): Properties, Applications, and Industry Insights

1-(5,6-Dimethylpyridin-3-YL)ethanone (CAS No. 1211535-68-0) is a specialized organic compound belonging to the pyridine derivative family. With its unique molecular structure featuring a dimethylpyridine core and an acetyl functional group, this compound has garnered significant attention in pharmaceutical and agrochemical research. The CAS 1211535-68-0 identifier ensures precise tracking in global chemical databases, making it indispensable for regulatory compliance and supply chain management.

Recent studies highlight the growing demand for pyridine-based intermediates like 1-(5,6-Dimethylpyridin-3-YL)ethanone in drug discovery programs. Its structural versatility allows for modifications that enhance bioavailability and target specificity—key factors driving its use in developing kinase inhibitors and anti-inflammatory agents. Researchers particularly value its electron-rich aromatic system, which facilitates selective bond formations in catalytic reactions.

From an industrial perspective, CAS 1211535-68-0 aligns with sustainability trends through efficient synthetic routes that minimize hazardous byproducts. Advanced purification techniques such as crystallization and chromatography ensure >98% purity, meeting stringent standards for high-value chemical synthesis. These processes address frequent search queries like "green chemistry approaches for pyridine derivatives" and "scalable production of heterocyclic ketones".

The compound's thermal stability (decomposition point >200°C) and solubility profile (soluble in polar aprotic solvents) make it ideal for high-temperature reactions—a topic trending in material science forums. Analytical characterization via NMR, HPLC-MS, and FTIR confirms its structural integrity, while computational modeling predicts potential applications in organic electronics and catalysis.

Market analysts note increased patent filings involving 1-(5,6-Dimethylpyridin-3-YL)ethanone, particularly in Asia-Pacific regions where fine chemical manufacturing is expanding. This correlates with search trends for "pyridine export regulations" and "specialty chemical suppliers". The compound's low ecotoxicity (OECD 301D certified) further supports its adoption in environmentally conscious formulations.

Ongoing research explores its utility in photoredox catalysis—a cutting-edge field addressing energy-efficient synthesis. Such innovations respond to frequent queries like "visible-light-mediated pyridine functionalization". With global demand projected to grow at 6.2% CAGR (2023-2030), CAS 1211535-68-0 represents a strategic asset for R&D portfolios targeting next-generation therapeutics and advanced materials.

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