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• 3. Evidence for the intrinsic nature of band-gap states electrochemically observed on atomically flat TiO2(110) surfaces?
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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives

Ethyl 4-(3-methoxyphenyl)benzoate (CAS No. 155061-61-3): A Comprehensive Overview in Modern Chemical Research

Ethyl 4-(3-methoxyphenyl)benzoate, identified by its Chemical Abstracts Service (CAS) number 155061-61-3, is a compound of significant interest in the realm of organic chemistry and pharmaceutical research. This ester derivative of benzoic acid, featuring a methoxy-substituted phenyl ring, has garnered attention due to its structural versatility and potential applications in medicinal chemistry. The compound’s unique pharmacophore, combining the benzoate moiety with a 3-methoxyphenyl group, positions it as a valuable scaffold for the development of novel bioactive molecules.

The synthesis of ethyl 4-(3-methoxyphenyl)benzoate typically involves the esterification of 4-hydroxy-3-methoxybenzoic acid with ethanol under acidic conditions. This reaction is facilitated by catalysts such as sulfuric acid or p-toluenesulfonic acid, ensuring high yield and purity. The presence of the methoxy group at the para position relative to the hydroxyl group enhances the compound’s solubility in organic solvents, making it amenable to various spectroscopic and chromatographic analyses. These characteristics have made it a preferred candidate for structural elucidation and mechanistic studies.

In recent years, ethyl 4-(3-methoxyphenyl)benzoate has been explored for its pharmacological properties. The benzoate moiety is known to exhibit anti-inflammatory, analgesic, and sedative effects, while the methoxyphenyl group can modulate receptor binding affinity. Preliminary studies suggest that derivatives of this compound may possess potential in treating neurological disorders such as Alzheimer’s disease and Parkinson’s disease. The methoxy group’s ability to interact with aromatic receptors has been particularly noted in enhancing binding interactions with neurotransmitter receptors, thereby influencing central nervous system (CNS) activity.

Advances in computational chemistry have further illuminated the therapeutic potential of ethyl 4-(3-methoxyphenyl)benzoate. Molecular docking simulations have identified its binding affinity to various targets, including cyclooxygenase (COX) enzymes and serotonergic receptors. These simulations have guided the design of more potent analogs by optimizing steric and electronic properties. Additionally, quantum mechanical calculations have provided insights into the compound’s electronic structure, aiding in understanding its reactivity and stability under different conditions.

The role of ethyl 4-(3-methoxyphenyl)benzoate in drug development has been underscored by its incorporation into several preclinical studies. Researchers have synthesized a series of derivatives to evaluate their efficacy in animal models of inflammation and pain. Initial results indicate that certain analogs exhibit significant anti-inflammatory effects comparable to established therapeutics but with improved selectivity and reduced side effects. These findings have prompted further investigation into optimizing synthetic routes for large-scale production.

From an industrial perspective, the scalability of synthesizing ethyl 4-(3-methoxyphenyl)benzoate has been a focus of recent research. Process optimization efforts have aimed at reducing solvent consumption and improving reaction yields through catalytic methods such as transition metal-catalyzed esterification. Green chemistry principles have been applied to develop more sustainable synthetic pathways, minimizing waste generation and energy consumption. These advancements not only enhance cost-efficiency but also align with global environmental regulations.

The analytical characterization of ethyl 4-(3-methoxyphenyl)benzoate has been refined through modern spectroscopic techniques. High-resolution nuclear magnetic resonance (NMR) spectroscopy has provided detailed information about its molecular structure, while mass spectrometry (MS) has confirmed its molecular weight and fragmentation patterns. Ultra-performance liquid chromatography (UPLC) coupled with MS has enabled high-throughput analysis for purity assessment and impurity profiling during synthesis.

In conclusion, ethyl 4-(3-methoxyphenyl)benzoate (CAS No. 155061-61-3) represents a promising compound in chemical research with diverse applications ranging from pharmaceutical development to industrial processes. Its unique structural features and pharmacological potential make it an attractive scaffold for further exploration. As computational methods continue to evolve, so too will our understanding of its interactions and applications, paving the way for innovative therapeutic solutions.

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