Cas no 1187163-80-9 (2-(2,5-Difluorobenzoyl)-4-methylpyridine)

2-(2,5-Difluorobenzoyl)-4-methylpyridine is a synthetic organic compound with notable applications in medicinal chemistry. This compound exhibits excellent chemical stability and high purity, making it suitable for research and development purposes. Its unique structure and reactivity profile contribute to its effectiveness in drug discovery and synthesis, particularly in the development of novel therapeutic agents.
2-(2,5-Difluorobenzoyl)-4-methylpyridine structure
1187163-80-9 structure
Product Name:2-(2,5-Difluorobenzoyl)-4-methylpyridine
CAS No:1187163-80-9
MF:C13H9F2NO
MW:233.213470220566
MDL:MFCD13152743
CID:4684327
Update Time:2025-07-23

2-(2,5-Difluorobenzoyl)-4-methylpyridine Chemical and Physical Properties

Names and Identifiers

    • 2-(2,5-Difluorobenzoyl)-4-methylpyridine
    • (2,5-Difluorophenyl)(4-methylpyridin-2-yl)methanone
    • BC723341
    • MDL: MFCD13152743
    • Inchi: 1S/C13H9F2NO/c1-8-4-5-16-12(6-8)13(17)10-7-9(14)2-3-11(10)15/h2-7H,1H3
    • InChI Key: VJVKKKYBWCDICO-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1C(C1C=C(C)C=CN=1)=O)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 285
  • Topological Polar Surface Area: 30

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Additional information on 2-(2,5-Difluorobenzoyl)-4-methylpyridine

Introduction to 2-(2,5-Difluorobenzoyl)-4-methylpyridine (CAS No. 1187163-80-9)

2-(2,5-Difluorobenzoyl)-4-methylpyridine, identified by the Chemical Abstracts Service Number (CAS No.) 1187163-80-9, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of pyridine derivatives, characterized by its unique structural and functional properties. The presence of both difluorobenzoyl and methylpyridine moieties imparts distinct reactivity and potential applications, making it a valuable intermediate in synthetic chemistry and drug development.

The molecular structure of 2-(2,5-Difluorobenzoyl)-4-methylpyridine consists of a pyridine ring substituted with a methyl group at the 4-position and an acyl group derived from 2,5-difluorobenzonic acid at the 2-position. This configuration enhances its utility as a building block in the synthesis of more complex molecules. The difluorobenzoyl moiety, in particular, introduces electron-withdrawing effects that can influence the electronic properties of the molecule, making it a versatile candidate for further functionalization.

In recent years, there has been growing interest in 2-(2,5-Difluorobenzoyl)-4-methylpyridine due to its potential applications in medicinal chemistry. The compound has been explored as a precursor in the synthesis of various pharmacologically active agents. Its unique structural features make it suitable for designing molecules with enhanced binding affinity and selectivity. For instance, derivatives of this compound have been investigated for their role in modulating enzyme activity and receptor interactions, which are critical in the development of novel therapeutic agents.

One of the most compelling aspects of 2-(2,5-Difluorobenzoyl)-4-methylpyridine is its role in the synthesis of small-molecule inhibitors. The difluorobenzoyl group provides a scaffold that can be modified to target specific biological pathways. Researchers have utilized this compound to develop inhibitors of kinases and other enzymes involved in cancer progression. The fluorine atoms at the 2 and 5 positions contribute to the metabolic stability and binding efficiency of these inhibitors, making them promising candidates for further clinical development.

Furthermore, the methylpyridine moiety in 2-(2,5-Difluorobenzoyl)-4-methylpyridine offers additional opportunities for structural diversification. This part of the molecule can be further functionalized to introduce various pharmacophores, enhancing its utility as a versatile intermediate. The combination of these features makes it an attractive candidate for libraries of compounds used in high-throughput screening (HTS) campaigns to identify novel drug candidates.

The synthesis of 2-(2,5-Difluorobenzoyl)-4-methylpyridine typically involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include acylation reactions followed by functional group transformations. Advanced techniques such as palladium-catalyzed cross-coupling reactions have also been employed to introduce additional substituents into the molecule. These synthetic strategies highlight the compound's importance as a synthetic intermediate in industrial and academic settings.

Recent studies have demonstrated the utility of 2-(2,5-Difluorobenzoyl)-4-methylpyridine in the development of agrochemicals as well. The unique structural features of this compound make it suitable for designing molecules that interact with biological targets in plants, offering potential benefits in crop protection and yield enhancement. The fluorinated aromatic ring enhances lipophilicity and bioavailability, which are crucial factors in agrochemical formulations.

The safety profile of 2-(2,5-Difluorobenzoyl)-4-methylpyridine is another important consideration. While extensive toxicological data may not be available yet due to its relatively recent discovery as a significant compound, preliminary studies suggest that it behaves as expected based on its structural analogs. Proper handling procedures should be followed during synthesis and handling to minimize any potential risks associated with exposure.

In conclusion,2-(2,5-Difluorobenzoyl)-4-methylpyridine (CAS No. 1187163-80-9) is a multifaceted compound with broad applications in pharmaceuticals and agrochemicals. Its unique structural features make it a valuable intermediate for synthesizing biologically active molecules. As research continues to uncover new applications for this compound,its significance is expected to grow further, driving innovation in drug discovery and material science.

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