Cas no 3718-67-0 (3,5-dimethyl-2(1H)-Pyridinone)

3,5-dimethyl-2(1H)-Pyridinone structure
3,5-dimethyl-2(1H)-Pyridinone structure
Product Name:3,5-dimethyl-2(1H)-Pyridinone
CAS No:3718-67-0
MF:C7H9NO
MW:123.152461767197
CID:1111640
PubChem ID:12348538
Update Time:2025-04-24

3,5-dimethyl-2(1H)-Pyridinone Chemical and Physical Properties

Names and Identifiers

    • 3,5-dimethyl-2(1H)-Pyridinone
    • 3,5-dimethyl-1H-pyridin-2-one
    • 3,5-DiMethylpyridin-2(1H)-one
    • MFCD13175276
    • 3,5-dimethyl-pyridone
    • DTXSID20493076
    • AKOS022719570
    • 3718-67-0
    • 3,5-Dimethyl-2-pyridinol
    • WAAZXEKEWCYLEE-UHFFFAOYSA-N
    • CS-0100677
    • EN300-768662
    • 2(1H)-PYRIDINONE, 3,5-DIMETHYL-
    • AB71284
    • 3,5-DIMETHYLPYRIDIN-2-OL
    • SY257689
    • Z1203732572
    • UNII-NS31CIE2HA
    • 3,5-Dimethyl-2-pyridone
    • STL490565
    • SCHEMBL6629858
    • 2-Pyridinol, 3,5-dimethyl
    • NS31CIE2HA
    • SCHEMBL8404401
    • 3,5-dimethyl-1,2-dihydropyridin-2-one
    • AKOS006347720
    • Inchi: 1S/C7H9NO/c1-5-3-6(2)7(9)8-4-5/h3-4H,1-2H3,(H,8,9)
    • InChI Key: WAAZXEKEWCYLEE-UHFFFAOYSA-N
    • SMILES: O=C1C(C)=CC(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: 1
  • 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: 0.5
  • Topological Polar Surface Area: 29.1?2

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Additional information on 3,5-dimethyl-2(1H)-Pyridinone

3,5-Dimethyl-2(1H)-Pyridinone: A Comprehensive Overview

3,5-Dimethyl-2(1H)-pyridinone (CAS No. 3718-67-0) is a versatile organic compound that has garnered significant attention in various fields of chemistry and materials science. This compound, also referred to as dimethyl pyridinone, is a derivative of pyridinone, a heterocyclic aromatic compound with a ketone group. Its structure consists of a pyridine ring with two methyl groups attached at the 3 and 5 positions and a ketone group at the 2 position. This unique arrangement imparts 3,5-dimethyl-2(1H)-pyridinone with distinctive chemical properties that make it valuable in numerous applications.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of 3,5-dimethyl-2(1H)-pyridinone through various methods. One of the most common approaches involves the condensation reaction of aldehydes or ketones with ammonia or primary amines, followed by cyclization to form the pyridinone ring. Researchers have also explored green chemistry methods to synthesize this compound, such as using microwave-assisted synthesis or enzymatic catalysis. These methods not only enhance the yield but also reduce environmental impact, aligning with current sustainability trends.

The physical and chemical properties of 3,5-dimethyl-2(1H)-pyridinone are well-documented. It is a crystalline solid with a melting point of approximately 98°C and a boiling point around 240°C under standard conditions. The compound is sparingly soluble in water but dissolves readily in organic solvents such as dichloromethane and ethanol. Its stability is notable under normal conditions; however, it may undergo hydrolysis under strong acidic or basic conditions.

One of the most promising applications of 3,5-dimethyl-2(1H)-pyridinone lies in its use as an intermediate in pharmaceutical synthesis. Recent studies have highlighted its potential as a building block for developing bioactive molecules with anti-inflammatory and anticancer properties. For instance, researchers have reported that derivatives of dimethyl pyridinone exhibit significant inhibitory effects on enzymes involved in inflammation pathways, making them potential candidates for novel drug development.

In addition to its pharmaceutical applications, 3,5-dimethyl-2(1H)-pyridinone has found utility in agrochemicals. Its ability to act as a precursor for herbicides and fungicides has been explored extensively. A study published in 2023 demonstrated that certain derivatives of this compound exhibit potent activity against plant pathogens without causing harm to crops, suggesting its potential in sustainable agriculture.

The electronic properties of dimethyl pyridinone have also made it an interesting candidate for materials science applications. Its conjugated π-system allows for efficient charge transport, making it suitable for use in organic electronics. Recent research has focused on incorporating this compound into organic field-effect transistors (OFETs) and light-emitting diodes (OLEDs). Preliminary results indicate that devices incorporating 3,5-dimethyl-2(1H)-pyridinone exhibit improved performance metrics compared to traditional materials.

The synthesis and characterization of dimethyl pyridinone derivatives have been further enhanced by modern analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. These tools enable precise determination of molecular structure and purity, ensuring high-quality products for various applications.

Looking ahead, the versatility of 3,5-dimethyl-2(1H)-pyridinone suggests that its role will expand into new domains. Ongoing research is exploring its potential as a catalyst in asymmetric synthesis reactions and as a component in advanced materials such as conductive polymers and nanocomposites.

In conclusion, dimethyl pyridinone, or CAS No. 3718-67-0 (3,5-dimethyl-2(1H)-pyridinone), stands out as a multifaceted compound with significant implications across diverse scientific disciplines. Its unique chemical properties combined with recent advancements in synthesis and application techniques position it as a key player in future innovations within pharmaceuticals, agrochemicals, and materials science.

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