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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Isocoumarans Phthalides
• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Isocoumarans Isobenzofuranones Phthalides

4-Fluoro-1(3H)-Isobenzofuranone (CAS No. 2211-81-6): Properties, Applications, and Market Insights

4-Fluoro-1(3H)-Isobenzofuranone (CAS No. 2211-81-6) is a fluorinated heterocyclic compound that has gained significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This white to off-white crystalline powder belongs to the class of isobenzofuranones, which are known for their versatile applications in organic synthesis and material science. The presence of a fluorine atom at the 4-position enhances its reactivity, making it a valuable intermediate for the development of bioactive molecules.

The molecular formula of 4-fluoro-1(3H)-isobenzofuranone is C8H5FO2, with a molecular weight of 152.12 g/mol. Its melting point ranges between 85-90°C, and it exhibits moderate solubility in common organic solvents such as ethanol, acetone, and dichloromethane. The compound's stability under normal conditions makes it suitable for various industrial applications, particularly in the synthesis of fluorinated pharmaceuticals and specialty chemicals.

One of the most searched questions about 4-fluoro-1(3H)-isobenzofuranone relates to its role in drug discovery. Researchers frequently investigate this compound as a building block for fluorinated drug candidates, especially in the development of central nervous system (CNS) therapeutics and anti-inflammatory agents. The incorporation of fluorine atoms into drug molecules often improves their metabolic stability, bioavailability, and binding affinity to target proteins.

In recent years, the demand for fluorinated organic compounds like 4-fluoro-1(3H)-isobenzofuranone has surged due to their importance in the development of new materials with enhanced properties. The compound serves as a precursor for the synthesis of fluorinated polymers and liquid crystals, which find applications in display technologies and advanced coatings. This aligns with current market trends focusing on high-performance materials for electronics and renewable energy applications.

The synthesis of 4-fluoro-1(3H)-isobenzofuranone typically involves the fluorination of appropriate aromatic precursors followed by cyclization. Modern synthetic approaches emphasize green chemistry principles, with researchers exploring catalytic methods to improve yield and reduce environmental impact. These developments respond to growing industry concerns about sustainable chemical production and waste minimization.

Analytical characterization of 4-fluoro-1(3H)-isobenzofuranone employs standard techniques including nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and high-performance liquid chromatography (HPLC). The compound's purity is crucial for its applications, particularly in pharmaceutical synthesis where stringent quality standards apply. Recent advancements in analytical technology have enabled more precise quantification of impurities and degradation products.

Market analysis indicates steady growth in the fluorinated compounds sector, with 4-fluoro-1(3H)-isobenzofuranone maintaining its position as a specialty chemical of interest. The Asia-Pacific region, particularly China and India, has emerged as a significant producer and consumer of such intermediates, driven by expanding pharmaceutical and electronics industries. Global suppliers continue to optimize production processes to meet the increasing demand while maintaining competitive pricing.

Safety considerations for handling 4-fluoro-1(3H)-isobenzofuranone follow standard laboratory protocols for organic compounds. While not classified as highly hazardous, appropriate personal protective equipment (PPE) including gloves and safety glasses is recommended during manipulation. Proper storage conditions involve keeping the material in a cool, dry place away from strong oxidizers to maintain stability.

Future research directions for 4-fluoro-1(3H)-isobenzofuranone include exploring its potential in catalysis and asymmetric synthesis. The compound's structural features make it an interesting candidate for developing new chiral auxiliaries or ligands in transition metal catalysis. Additionally, its application in the synthesis of fluorinated bioactive molecules continues to be an active area of investigation in medicinal chemistry.

The environmental fate of 4-fluoro-1(3H)-isobenzofuranone and related fluorinated compounds has become a topic of increasing interest. Recent studies focus on understanding the biodegradation pathways and potential ecological impacts of such substances. This research aligns with global initiatives for responsible chemical management and the development of environmentally benign alternatives.

In conclusion, 4-fluoro-1(3H)-isobenzofuranone (CAS No. 2211-81-6) represents an important fluorinated building block with diverse applications across multiple industries. Its unique chemical properties, combined with the growing demand for fluorinated specialty chemicals, ensure its continued relevance in scientific research and industrial applications. As synthetic methodologies advance and new applications emerge, this compound is likely to maintain its position as a valuable intermediate in organic synthesis and material science.

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• 230301-81-2(methyl 3-fluoro-2-methylbenzoate)
• 652-40-4(4,7-Difluoro-1,3-isobenzofurandione (Technical Grade, ~90%))
• 197516-57-7(Methyl 2-fluoro-6-methylbenzoate)
• 90259-30-6(Ethyl 2-fluoro-6-methylbenzoate)
• 652-12-0(Tetrafluorophthalic Anhydride)
• 114312-57-1(Ethyl 3-fluoro-2-methylbenzoate)
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