Cas no 898779-92-5 ((4-propylphenyl)-pyridin-2-ylmethanone)

(4-propylphenyl)-pyridin-2-ylmethanone structure
898779-92-5 structure
Product Name:(4-propylphenyl)-pyridin-2-ylmethanone
CAS No:898779-92-5
MF:C15H15NO
MW:225.285703897476
MDL:MFCD07699250
CID:1948117
PubChem ID:24723567
Update Time:2025-07-27

(4-propylphenyl)-pyridin-2-ylmethanone Chemical and Physical Properties

Names and Identifiers

    • (4-propylphenyl)-pyridin-2-ylmethanone
    • (4-Propylphenyl)(pyridin-2-yl)methanone
    • methanone, (4-propylphenyl)-2-pyridinyl-
    • LogP
    • 2-(4-n-Propylbenzoyl)pyridine
    • MFCD07699250
    • AKOS012095980
    • DTXSID00642005
    • 898779-92-5
    • MDL: MFCD07699250
    • Inchi: 1S/C15H15NO/c1-2-5-12-7-9-13(10-8-12)15(17)14-6-3-4-11-16-14/h3-4,6-11H,2,5H2,1H3
    • InChI Key: APGIMQKZUHDUPP-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CN=1)C1C=CC(=CC=1)CCC

Computed Properties

  • Exact Mass: 225.115364102Da
  • Monoisotopic Mass: 225.115364102Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 243
  • 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: 3.2
  • Topological Polar Surface Area: 30?2

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Additional information on (4-propylphenyl)-pyridin-2-ylmethanone

Introduction to (4-propylphenyl)-pyridin-2-ylmethanone (CAS No. 898779-92-5)

(4-propylphenyl-pyridin-2-ylmethanone) is a specialized organic compound characterized by its unique structural and chemical properties. This compound, identified by the CAS number 898779-92-5, has garnered significant attention in the field of pharmaceutical research due to its potential applications in drug development and molecular biology studies. The combination of a propylphenyl group and a pyridin-2-ylmethyl moiety contributes to its distinctive reactivity and utility in synthetic chemistry.

The structural framework of (4-propylphenyl-pyridin-2-ylmethanone) consists of a benzene ring substituted with a propyl group at the fourth position, linked to a pyridine ring via a methanone bridge at the second position of the pyridine. This configuration imparts specific electronic and steric properties that make it a valuable intermediate in the synthesis of more complex molecules. The presence of both aromatic and heterocyclic components enhances its versatility in various chemical transformations.

In recent years, there has been growing interest in exploring the pharmacological properties of compounds featuring the (4-propylphenyl-pyridin-2-ylmethanone) scaffold. Research has indicated that this compound exhibits promising biological activities, particularly in the context of modulating enzyme function and receptor interactions. These findings have spurred further investigation into its potential as a lead compound for developing novel therapeutic agents.

One of the most compelling aspects of (4-propylphenyl-pyridin-2-ylmethanone) is its role in synthetic chemistry. The compound serves as an effective building block for constructing more intricate molecular architectures. Its reactivity allows for facile functionalization at multiple sites, enabling chemists to tailor its properties for specific applications. This adaptability has made it a cornerstone in the synthesis of advanced materials and pharmaceutical intermediates.

The chemical behavior of (4-propylphenyl-pyridin-2-ylmethanone) is influenced by its dual aromatic and heterocyclic nature. The benzene ring contributes stability, while the pyridine moiety introduces electron-withdrawing effects that can influence reaction outcomes. These characteristics make it particularly useful in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are essential for constructing carbon-carbon bonds in organic synthesis.

Recent advancements in computational chemistry have further illuminated the potential of (4-propylphenyl-pyridin-2-ylmethanone) as a pharmacophore. Molecular modeling studies have demonstrated its ability to interact with biological targets in specific ways, suggesting applications in treating various diseases. These simulations have guided experimental efforts, leading to more targeted and efficient synthetic strategies.

The synthesis of (4-propylphenyl-pyridin-2-ylmethanone) typically involves multi-step organic reactions, starting from readily available precursors. The process often requires careful optimization to ensure high yield and purity. Advances in catalytic methods have streamlined these synthetic routes, making it more feasible to produce larger quantities for research purposes.

In conclusion, (4-propylphenyl-pyridin-2-ylmethanone) (CAS No. 898779-92-5) represents a significant compound in modern chemical research. Its unique structure, reactivity, and biological potential make it a valuable asset for both academic investigations and industrial applications. As our understanding of its properties continues to evolve, so too will its role in advancing pharmaceutical science and material innovation.

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