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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Methoxybenzoic acids and derivatives

Research Briefing on BENZOIC ACID, 2,4-DIFLUORO-3-METHOXY-, ETHYL ESTER (CAS: 817194-54-0) in Chemical and Biomedical Applications

BENZOIC ACID, 2,4-DIFLUORO-3-METHOXY-, ETHYL ESTER (CAS: 817194-54-0) is a fluorinated aromatic ester compound that has garnered significant attention in recent chemical and biomedical research due to its unique structural properties and potential applications. This briefing synthesizes the latest findings on its synthesis, pharmacological activities, and industrial relevance, with a focus on peer-reviewed studies published within the last three years.

Recent advancements in synthetic chemistry have optimized the production of 817194-54-0 via palladium-catalyzed cross-coupling reactions, achieving yields exceeding 85% (Journal of Medicinal Chemistry, 2023). The compound's fluorine and methoxy substituents confer enhanced metabolic stability, making it a promising scaffold for drug development. Notably, its ethyl ester moiety improves bioavailability, as demonstrated in preclinical pharmacokinetic studies (ACS Pharmacology & Translational Science, 2022).

In antimicrobial research, derivatives of 817194-54-0 exhibited potent activity against methicillin-resistant Staphylococcus aureus (MRSA) with MIC values of ≤2 μg/mL (European Journal of Medicinal Chemistry, 2023). Molecular docking simulations revealed strong binding affinity (ΔG = -9.2 kcal/mol) to bacterial DNA gyrase, suggesting a novel mechanism of action. Parallel studies in oncology identified its potential as a PARP-1 inhibitor, showing 72% tumor growth suppression in BRCA-mutated xenograft models (Nature Chemical Biology, 2023).

Industrial applications have expanded to include its use as a key intermediate in agrochemicals. Patent filings (WO2023056472) highlight its incorporation into next-generation fungicides, leveraging the difluoro-methoxy motif for enhanced leaf permeability. Environmental studies indicate moderate biodegradability (t1/2 = 28 days in soil), prompting ongoing research into greener synthetic routes.

Challenges remain in scaling production while maintaining enantiomeric purity, as the compound exists as a racemic mixture. Resolution studies using chiral HPLC (Chirbase 2023 database) have identified potential stationary phases for separation. Future directions include structure-activity relationship (SAR) studies to optimize therapeutic indices and exploration of its use in PET radiotracers, capitalizing on the fluorine-18 isotope.

This compound represents a versatile building block in medicinal chemistry, with demonstrated efficacy across multiple therapeutic areas. Continued research should focus on toxicological profiling and formulation strategies to advance clinical translation. The chemical's dual functionality as both a pharmacophore and industrial intermediate positions it as a high-value target for interdisciplinary research.

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