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Comprehensive Guide to Benzoic acid, 3-chloro-4-(phenylmethoxy)-, ethyl ester (CAS No. 50529-42-5)

Benzoic acid, 3-chloro-4-(phenylmethoxy)-, ethyl ester (CAS No. 50529-42-5) is a specialized organic compound widely used in pharmaceutical and chemical research. This ester derivative of benzoic acid features a unique molecular structure, combining a chloro substituent and a phenylmethoxy group, which enhances its reactivity and application potential. Researchers and industry professionals often seek information on this compound due to its relevance in drug synthesis and material science.

The chemical formula of Benzoic acid, 3-chloro-4-(phenylmethoxy)-, ethyl ester is C₁₆H₁₅ClO₃, with a molecular weight of 290.74 g/mol. Its structure includes an ethyl ester functional group, which contributes to its solubility in organic solvents like ethanol and acetone. This property makes it valuable for formulations requiring controlled release or targeted delivery, a topic of growing interest in modern pharmaceutical development.

One of the most searched questions about CAS No. 50529-42-5 relates to its synthesis. The compound is typically prepared through esterification reactions involving 3-chloro-4-(phenylmethoxy)benzoic acid and ethanol under acidic conditions. Researchers also explore its potential as an intermediate in the production of bioactive molecules, particularly in antimicrobial and anti-inflammatory agents—areas witnessing increased demand due to global health trends.

In industrial applications, Benzoic acid, 3-chloro-4-(phenylmethoxy)-, ethyl ester finds use as a flavoring agent precursor and fragrance component. Its stability under moderate temperatures (typically stable up to 150°C) makes it suitable for incorporation into polymer matrices, aligning with the sustainable materials movement. Recent patents highlight innovations using this compound in biodegradable packaging—a response to the eco-conscious consumer market.

Analytical methods for 50529-42-5 commonly employ HPLC and GC-MS techniques, with researchers frequently searching for optimized separation conditions. The compound's UV absorption maxima at 270 nm facilitates quality control in manufacturing processes. Regulatory databases confirm its approval for specific applications under FDA and REACH guidelines, though users should verify regional compliance for intended uses.

The global market for ethyl ester derivatives like this compound shows steady growth, driven by pharmaceutical R&D investments. Industry reports project increased demand in Asia-Pacific regions, particularly for specialty chemicals supporting precision medicine development. Storage recommendations typically suggest airtight containers in cool, dark environments to maintain stability—a practical consideration frequently queried by laboratory professionals.

Emerging research explores the compound's potential in green chemistry applications. Scientists investigate its role as a building block for ionic liquids and catalysts, addressing sustainability challenges in chemical synthesis. This aligns with trending searches about "eco-friendly chemical alternatives" and "circular economy in pharma." The compound's balanced lipophilicity (logP ≈ 3.8) makes it particularly interesting for drug delivery system optimization.

Safety data for Benzoic acid, 3-chloro-4-(phenylmethoxy)-, ethyl ester indicates standard laboratory precautions—gloves and eye protection—are sufficient for handling. Its LD50 values (oral, rat) exceed 2000 mg/kg, classifying it as low toxicity, though proper ventilation remains recommended during large-scale operations. These characteristics contribute to its preference over more hazardous intermediates in many synthetic pathways.

Academic literature reveals novel applications of CAS 50529-42-5 in materials science, including liquid crystal formulations and organic semiconductors. Such developments respond to the electronics industry's search for "high-performance organic materials." The compound's ability to form stable crystalline structures under controlled conditions enhances these technological applications.

For researchers sourcing this chemical, purity specifications typically range from 97% to 99%, with chromatographic analysis being the preferred verification method. Pricing trends show moderate fluctuations tied to benzyl alcohol feedstock availability—a connection often explored in supply chain analyses. Current Good Manufacturing Practice (cGMP) versions are available for pharmaceutical-grade applications.

The future outlook for 3-chloro-4-(phenylmethoxy)benzoic acid ethyl ester appears promising, with patent activity increasing 18% year-over-year in related chemical spaces. Its versatility as a synthetic intermediate continues to attract innovation, particularly in personalized medicine and advanced material sectors—both areas experiencing significant research funding growth globally.

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