Cas no 72323-56-9 (4,5-Dimethylpyridin-2(1H)-one)

4,5-Dimethylpyridin-2(1H)-one structure
4,5-Dimethylpyridin-2(1H)-one structure
Product Name:4,5-Dimethylpyridin-2(1H)-one
CAS No:72323-56-9
MF:C7H9NO
MW:123.152461767197
MDL:MFCD19219359
CID:1088979
PubChem ID:12552271
Update Time:2025-04-24

4,5-Dimethylpyridin-2(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dimethylpyridin-2(1H)-one
    • 4,5-dimethyl-1H-pyridin-2-one
    • DTXSID20502278
    • 2-HYDROXY-4,5-DIMETHYLPYRIDINE
    • 72323-56-9
    • AKOS006354750
    • AB71287
    • 4,5-DIMETHYL-2-PYRIDINOL
    • WLZ2863
    • MFCD16610914
    • SCHEMBL791112
    • 4,5-DIMETHYLPYRIDIN-2-OL
    • AT24357
    • MDL: MFCD19219359
    • Inchi: 1S/C7H9NO/c1-5-3-7(9)8-4-6(5)2/h3-4H,1-2H3,(H,8,9)
    • InChI Key: FLKBNILXXMIRFX-UHFFFAOYSA-N
    • SMILES: O=C1C=C(C)C(C)=CN1

Computed Properties

  • Exact Mass: 123.068413911g/mol
  • Monoisotopic Mass: 123.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 201
  • 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: 0
  • Topological Polar Surface Area: 29.1?2

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Additional information on 4,5-Dimethylpyridin-2(1H)-one

4,5-Dimethylpyridin-2(1H)-one: A Comprehensive Overview

4,5-Dimethylpyridin-2(1H)-one (CAS No. 72323-56-9) is a heterocyclic organic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound belongs to the pyridinone family, characterized by a six-membered ring containing one nitrogen atom and a ketone group. The presence of two methyl groups at the 4 and 5 positions of the ring introduces unique electronic and steric properties, making it a versatile building block for various applications.

The chemical structure of 4,5-Dimethylpyridin-2(1H)-one consists of a pyridine ring with a ketone group at position 2 and methyl substituents at positions 4 and 5. This arrangement imparts distinct reactivity and stability to the molecule. Recent studies have highlighted its potential as an intermediate in the synthesis of bioactive compounds, particularly in drug discovery. For instance, researchers have explored its role in the development of anti-inflammatory agents and anticancer drugs due to its ability to modulate key cellular pathways.

One of the most notable advancements in the study of 4,5-Dimethylpyridin-2(1H)-one involves its application in medicinal chemistry. Scientists have successfully utilized this compound as a precursor for designing molecules with enhanced bioavailability and selectivity. A recent publication in *Journal of Medicinal Chemistry* reported that derivatives of 4,5-Dimethylpyridin-2(1H)-one exhibit potent inhibitory activity against enzymes associated with neurodegenerative diseases such as Alzheimer's and Parkinson's.

In addition to its pharmaceutical applications, 4,5-Dimethylpyridin-2(1H)-one has found utility in materials science. Its ability to form stable coordination complexes with transition metals has made it a valuable component in the synthesis of catalysts for organic transformations. For example, researchers have demonstrated that this compound can enhance the efficiency of cross-coupling reactions—a critical process in industrial chemistry.

The synthesis of 4,5-Dimethylpyridin-2(1H)-one has also been optimized in recent years. Traditional methods involving multi-step reactions have been replaced with more efficient protocols, such as microwave-assisted synthesis and enzymatic catalysis. These advancements not only reduce production costs but also minimize environmental impact, aligning with the principles of green chemistry.

From an analytical perspective, modern techniques like nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry have provided deeper insights into the structural properties of 4,5-Dimethylpyridin-2(1H)-one. These studies have revealed subtle conformational changes that influence its reactivity under different conditions.

In conclusion, 4,5-Dimethylpyridin-2(1H)-one (CAS No. 72323-56-9) stands as a testament to the interdisciplinary nature of modern chemical research. Its diverse applications span from drug discovery to materials development, underscoring its importance as a versatile chemical entity. As research continues to uncover new potentials for this compound, it is poised to play an even greater role in advancing scientific innovation.

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