Cas no 224040-91-9 (2-(Pyridin-3-yl)-1-(p-tolyl)ethanone)

2-(Pyridin-3-yl)-1-(p-tolyl)ethanone is a versatile organic compound featuring a pyridine and p-tolyl moiety linked by an ethanone bridge. Its structural properties make it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of heterocyclic compounds. The presence of both aromatic systems enhances its reactivity in cross-coupling and condensation reactions, facilitating the construction of complex molecular frameworks. This compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its well-defined chemical structure allows for precise modifications, making it useful in medicinal chemistry for drug discovery and material science applications. High purity grades are available to meet rigorous research and industrial requirements.
2-(Pyridin-3-yl)-1-(p-tolyl)ethanone structure
224040-91-9 structure
Product Name:2-(Pyridin-3-yl)-1-(p-tolyl)ethanone
CAS No:224040-91-9
MF:C14H13NO
MW:211.259123563766
MDL:MFCD16786229
CID:1038847
PubChem ID:22282368
Update Time:2025-10-19

2-(Pyridin-3-yl)-1-(p-tolyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-(Pyridin-3-yl)-1-(p-tolyl)ethanone
    • 1-(4-methylphenyl)-2-pyridin-3-ylethanone
    • 1-(4-METHYLPHENYL)-2-(3-PYRIDYL)ETHANONE
    • AG-E-63694
    • AK100104
    • ANW-70530
    • CTK4E9402
    • MolPort-012-926-066
    • SureCN6283045
    • AKOS011843871
    • DTXSID10624332
    • SCHEMBL6283045
    • 2-(Pyridin-3-yl)-1-(p-tolyl)ethan-1-one
    • 1-(4-Methylphenyl)-2-(3-pyridinyl)-ethanone
    • AB90957
    • 1-(4-Methylphenyl)-2-(pyridin-3-yl)ethan-1-one
    • CS-0449759
    • 224040-91-9
    • MDL: MFCD16786229
    • Inchi: 1S/C14H13NO/c1-11-4-6-13(7-5-11)14(16)9-12-3-2-8-15-10-12/h2-8,10H,9H2,1H3
    • InChI Key: TWWHAXPVHPJYJQ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C)=CC=1)CC1C=NC=CC=1

Computed Properties

  • Exact Mass: 211.10000
  • Monoisotopic Mass: 211.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 231
  • 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: 2.5
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • PSA: 29.96000
  • LogP: 2.81540

2-(Pyridin-3-yl)-1-(p-tolyl)ethanone Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(Pyridin-3-yl)-1-(p-tolyl)ethanone Pricemore >>

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Additional information on 2-(Pyridin-3-yl)-1-(p-tolyl)ethanone

Research Brief on 2-(Pyridin-3-yl)-1-(p-tolyl)ethanone (CAS: 224040-91-9) in Chemical Biology and Pharmaceutical Applications

2-(Pyridin-3-yl)-1-(p-tolyl)ethanone (CAS: 224040-91-9) is a compound of significant interest in the field of chemical biology and pharmaceutical research. This molecule, characterized by its pyridine and p-tolyl functional groups, has been the subject of recent studies due to its potential applications in drug discovery and development. The compound's unique structural features make it a promising candidate for modulating biological targets, particularly in the context of kinase inhibition and anti-inflammatory therapies.

Recent literature highlights the synthesis and characterization of 2-(Pyridin-3-yl)-1-(p-tolyl)ethanone, with a focus on its physicochemical properties and reactivity. Advanced spectroscopic techniques, including NMR and mass spectrometry, have been employed to confirm its structure and purity. Computational studies, such as molecular docking and density functional theory (DFT) calculations, have provided insights into its binding affinities and electronic properties, which are critical for understanding its interactions with biological targets.

In pharmacological research, 2-(Pyridin-3-yl)-1-(p-tolyl)ethanone has shown promising activity in preliminary in vitro assays. Studies indicate its potential as an inhibitor of specific kinases involved in inflammatory pathways, suggesting its utility in developing novel anti-inflammatory agents. Additionally, its metabolic stability and pharmacokinetic profile have been evaluated, with results indicating favorable properties for further drug development. These findings underscore the compound's relevance in addressing unmet medical needs in inflammation-related disorders.

The compound's mechanism of action has been explored in cellular models, where it demonstrated the ability to modulate key signaling pathways. For instance, it has been shown to inhibit the production of pro-inflammatory cytokines, such as TNF-α and IL-6, in macrophage cell lines. These effects are attributed to its interaction with specific kinase domains, which play a pivotal role in the regulation of immune responses. Such mechanistic insights are invaluable for optimizing the compound's structure to enhance its efficacy and selectivity.

Despite these promising findings, challenges remain in the development of 2-(Pyridin-3-yl)-1-(p-tolyl)ethanone as a therapeutic agent. Issues such as solubility, bioavailability, and potential off-target effects need to be addressed through further structural modifications and formulation studies. Ongoing research aims to explore derivatives of this compound to improve its pharmacological properties while minimizing adverse effects. Collaborative efforts between academic and industrial researchers are expected to accelerate the translation of these findings into clinical applications.

In conclusion, 2-(Pyridin-3-yl)-1-(p-tolyl)ethanone (CAS: 224040-91-9) represents a promising scaffold in chemical biology and pharmaceutical research. Its demonstrated biological activity, coupled with its favorable physicochemical properties, positions it as a valuable candidate for further investigation. Future studies should focus on optimizing its structure, elucidating its detailed mechanism of action, and evaluating its efficacy in preclinical models. The continued exploration of this compound holds significant potential for advancing therapeutic strategies in inflammation and related disorders.

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