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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Halobenzenes Fluorobenzenes

Comprehensive Overview of 4-chloro-1-(2-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole (CAS No. 1004194-50-6)

The compound 4-chloro-1-(2-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole (CAS No. 1004194-50-6) is a specialized heterocyclic molecule that has garnered significant attention in the fields of medicinal chemistry and agrochemical research. Its unique structure, featuring a pyrazole core substituted with chloro, fluorophenyl, and isothiocyanate functional groups, makes it a versatile intermediate for synthesizing biologically active compounds. Researchers are particularly interested in its potential applications in drug discovery and crop protection, aligning with current trends in sustainable agriculture and precision medicine.

One of the key reasons for the growing interest in 4-chloro-1-(2-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole is its role in the development of small-molecule inhibitors. With the rise of targeted therapies in oncology and autoimmune diseases, this compound's isothiocyanate moiety offers a reactive handle for covalent binding to biological targets. Recent studies have explored its utility in designing kinase inhibitors, a hot topic in cancer research. Additionally, its fluorophenyl group enhances metabolic stability, a critical factor in pharmacokinetic optimization.

From an agrochemical perspective, 4-chloro-1-(2-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole has shown promise as a precursor for pesticide development. The pyrazole scaffold is a common motif in modern insecticides and fungicides, and the introduction of fluorine atoms is known to improve bioavailability and environmental persistence. This aligns with the industry's shift toward low-dose, high-efficacy solutions, addressing global concerns about food security and sustainable farming practices.

The synthesis of CAS No. 1004194-50-6 typically involves multi-step organic reactions, including nucleophilic substitution and cyclization processes. Advanced techniques such as microwave-assisted synthesis and flow chemistry have been employed to improve yield and purity, reflecting the broader trend toward green chemistry and process intensification. Analytical characterization often relies on NMR spectroscopy, mass spectrometry, and HPLC, ensuring compliance with stringent quality control standards.

In the context of intellectual property, 4-chloro-1-(2-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole has been cited in several patents related to pharmaceutical formulations and crop protection agents. This underscores its commercial viability and the competitive landscape of fine chemical innovation. Companies specializing in custom synthesis and contract research frequently list this compound in their portfolios, catering to the demand for high-value intermediates.

Looking ahead, the versatility of CAS No. 1004194-50-6 positions it as a valuable asset in molecular design. As the scientific community continues to explore structure-activity relationships (SAR) and fragment-based drug discovery, this compound's multifunctional nature will likely drive further innovation. Its integration into combinatorial chemistry libraries and high-throughput screening platforms exemplifies its relevance in modern drug development pipelines.

For researchers seeking detailed safety data or technical specifications of 4-chloro-1-(2-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole, reputable suppliers typically provide material safety data sheets (MSDS) and certificates of analysis (CoA). These documents are essential for ensuring compliance with laboratory safety protocols and regulatory requirements, particularly in Good Laboratory Practice (GLP) environments.

• 1005697-84-6(1-(2-Chloro-6-fluoro-benzyl)-3-isothiocyanato-1H-pyrazole)
• 1004194-40-4(1-(2-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole)
• 1004194-59-5(4-chloro-1-(4-chlorophenyl)methyl-3-isothiocyanato-1H-pyrazole)
• 1004194-61-9(4-chloro-1-(2-chlorophenyl)methyl-3-isothiocyanato-1H-pyrazole)
• 1001757-51-2(4-chloro-1-(2-fluorophenyl)methyl-1H-pyrazol-3-amine)
• 1001757-53-4(4-Chloro-1-(4-fluorobenzyl)-1H-pyrazol-3-amine)
• 1004194-52-8(4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole)
• 895929-26-7(4-Chloro-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-amine)
• 1001757-55-6(4-chloro-1-(3-fluorophenyl)methyl-1H-pyrazol-3-amine)
• 1004194-65-3(4-chloro-1-(4-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole)