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5-Amino-1-(3-bromo-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester (CAS 494747-19-2): A Comprehensive Overview

5-Amino-1-(3-bromo-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester (CAS 494747-19-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrazole derivative features a unique molecular structure combining an amino group, a bromo-phenyl moiety, and an ethyl ester functionality, making it a valuable intermediate in synthetic chemistry.

The compound's molecular formula C12H12BrN3O2 and molecular weight of 310.15 g/mol position it as an important building block for more complex molecules. Researchers particularly value its 5-amino pyrazole core, which serves as a crucial scaffold in medicinal chemistry. The presence of both electron-donating (amino) and electron-withdrawing (bromo) groups on the aromatic system creates interesting electronic properties that can be exploited in drug design.

In pharmaceutical applications, 5-Amino-1-(3-bromo-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester has shown promise as a precursor for kinase inhibitors. Recent studies suggest its potential in developing treatments for inflammatory conditions and certain metabolic disorders. The 3-bromo-phenyl substitution appears to enhance binding affinity to specific biological targets, while the ethyl ester group improves the compound's solubility profile.

The agrochemical industry has also explored applications of this compound, particularly in developing novel crop protection agents. Its structural features may contribute to the creation of more selective and environmentally friendly pesticides. Researchers are investigating how modifications to the pyrazole ring system can influence biological activity against various plant pathogens.

From a synthetic chemistry perspective, CAS 494747-19-2 offers multiple sites for further functionalization. The amino group at position 5 can undergo acylation or alkylation reactions, while the ethyl ester can be hydrolyzed to the corresponding acid or transformed into other derivatives. These properties make it a versatile intermediate for constructing more complex molecular architectures.

Current market trends show growing demand for specialty pyrazole derivatives like this compound, particularly in the pharmaceutical sector. The global market for heterocyclic building blocks is projected to expand significantly, driven by increased R&D investment in small molecule therapeutics. Manufacturers are developing more efficient synthetic routes to produce 5-Amino-1-(3-bromo-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester with higher purity and yield.

Analytical characterization of this compound typically involves HPLC, NMR spectroscopy, and mass spectrometry to confirm structure and purity. The 3-bromo substituent produces distinctive signals in both 1H and 13C NMR spectra, serving as useful diagnostic markers. Quality control protocols emphasize monitoring potential impurities that might form during synthesis or storage.

Storage and handling recommendations for CAS 494747-19-2 include protection from moisture and light, typically in sealed containers under inert atmosphere. While not classified as hazardous under standard conditions, proper laboratory practices should be followed when working with this chemical. The compound demonstrates good stability at room temperature when stored appropriately.

Recent scientific literature highlights innovative applications of this pyrazole derivative in materials science. Some researchers have incorporated similar structures into organic electronic materials, taking advantage of their electron transport properties. The bromo-phenyl group in particular may facilitate cross-coupling reactions for constructing conjugated systems.

Environmental and regulatory considerations for 5-Amino-1-(3-bromo-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester continue to evolve as its applications expand. While current regulations don't restrict its use, manufacturers are encouraged to implement green chemistry principles in its production. Life cycle assessments are being conducted to evaluate the compound's environmental impact across various applications.

The future outlook for CAS 494747-19-2 appears promising, with potential applications emerging in diverse fields. Ongoing research explores its use in developing novel biologically active compounds, with particular interest in its role as a pharmacophore in drug discovery. As synthetic methodologies advance, we anticipate seeing more derivatives of this compound entering clinical trials and commercial applications.

For researchers and manufacturers working with 5-Amino-1-(3-bromo-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester, staying informed about the latest developments is crucial. Regular consultation of patent literature and scientific journals can reveal new synthetic approaches or applications. The compound's versatility ensures it will remain relevant in chemical research for years to come.

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