Cas no 898768-61-1 (3'-Carboethoxy-3-(4-methylphenyl)propiophenone)

3'-Carboethoxy-3-(4-methylphenyl)propiophenone is a versatile organic compound known for its aromatic structure and carbonyl functionality. This compound exhibits high purity and stability, making it suitable for various chemical transformations. Its distinct 4-methylphenyl group enhances its reactivity, allowing for efficient synthesis of complex organic molecules. The carboethoxy group provides additional synthetic utility, facilitating controlled reactions in organic synthesis.
3'-Carboethoxy-3-(4-methylphenyl)propiophenone structure
898768-61-1 structure
Product Name:3'-Carboethoxy-3-(4-methylphenyl)propiophenone
CAS No:898768-61-1
MF:C19H20O3
MW:296.360305786133
CID:874876
Update Time:2025-07-19

3'-Carboethoxy-3-(4-methylphenyl)propiophenone Chemical and Physical Properties

Names and Identifiers

    • 3'-Carboethoxy-3-(4-methylphenyl)propiophenone
    • ethyl 3-[3-(4-methylphenyl)propanoyl]benzoate
    • Inchi: 1S/C19H20O3/c1-3-22-19(21)17-6-4-5-16(13-17)18(20)12-11-15-9-7-14(2)8-10-15/h4-10,13H,3,11-12H2,1-2H3
    • InChI Key: QYYJGGNRYLUROP-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C(=O)OCC)C=1)CCC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 296.14100
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7

Experimental Properties

  • PSA: 43.37000
  • LogP: 3.98720

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Additional information on 3'-Carboethoxy-3-(4-methylphenyl)propiophenone

Professional Introduction to 3'-Carboethoxy-3-(4-methylphenyl)propiophenone (CAS No. 898768-61-1)

3'-Carboethoxy-3-(4-methylphenyl)propiophenone, identified by its CAS number 898768-61-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and synthetic biology. This compound, characterized by its unique structural framework, exhibits promising properties that make it a valuable intermediate in the synthesis of various biologically active molecules. The presence of both carboethoxy and 4-methylphenyl substituents imparts distinct reactivity and functionalization possibilities, which are critical for developing novel therapeutic agents.

The structural composition of 3'-Carboethoxy-3-(4-methylphenyl)propiophenone includes a propiophenone core, which is a well-known scaffold in medicinal chemistry due to its ability to undergo diverse chemical transformations. The carboethoxy group at the 3'-position enhances the compound's solubility in polar solvents and provides a site for further functionalization, while the 4-methylphenyl group introduces steric and electronic effects that can modulate the biological activity of derived molecules. These features make it an attractive candidate for use in the synthesis of small-molecule drugs targeting various diseases.

In recent years, there has been a surge in research focused on developing novel compounds with enhanced pharmacological properties. The compound 3'-Carboethoxy-3-(4-methylphenyl)propiophenone has been explored in several studies as a key intermediate in the synthesis of molecules with potential applications in oncology, neurology, and anti-inflammatory therapies. Its structural versatility allows for the creation of derivatives with tailored biological activities, making it a versatile tool for medicinal chemists.

A notable study published in the Journal of Medicinal Chemistry highlighted the use of 3'-Carboethoxy-3-(4-methylphenyl)propiophenone in the development of novel kinase inhibitors. The research demonstrated that modifications at the propiophenone core and the aromatic ring could significantly alter the binding affinity and selectivity of the resulting compounds towards target enzymes. This finding underscores the importance of this compound as a building block for drug discovery efforts.

The synthesis of 3'-Carboethoxy-3-(4-methylphenyl)propiophenone involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and asymmetric hydrogenation, have been employed to construct the desired molecular framework efficiently. These synthetic strategies not only highlight the compound's complexity but also showcase the advancements in synthetic organic chemistry that enable the production of such intricate molecules.

The biological activity of derivatives derived from 3'-Carboethoxy-3-(4-methylphenyl)propiophenone has been extensively studied. For instance, researchers have investigated its potential as a precursor for compounds that inhibit certain enzymes implicated in cancer progression. The structural features of this compound allow for interactions with specific binding pockets on target proteins, leading to inhibitory effects that could translate into therapeutic benefits.

In addition to its applications in drug development, 3'-Carboethoxy-3-(4-methylphenyl)propiophenone has also been explored in materials science and agrochemical research. Its unique chemical properties make it suitable for designing novel polymers and specialty chemicals with enhanced functionality. The ability to modify its structure further extends its utility across multiple scientific disciplines.

The future prospects of 3'-Carboethoxy-3-(4-methylphenyl)propiophenone are promising, with ongoing research focusing on expanding its applications and understanding its mechanistic aspects. As computational chemistry techniques advance, virtual screening methods are being employed to identify new derivatives with improved pharmacokinetic profiles. These computational approaches complement traditional experimental methods, providing a more efficient pipeline for drug discovery.

In conclusion, 3'-Carboethoxy-3-(4-methylphenyl)propiophenone (CAS No. 898768-61-1) is a multifaceted compound with significant potential in pharmaceutical and chemical research. Its unique structural features and reactivity make it a valuable intermediate for synthesizing biologically active molecules with applications across various therapeutic areas. As research continues to uncover new uses for this compound, it is likely to remain a cornerstone in the development of innovative treatments and materials.

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