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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Pyrroles Pyrrole carboxylic acids
• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Pyrroles Pyrrole carboxylic acids and derivatives Pyrrole carboxylic acids

Comprehensive Overview of 5-Bromo-1-methyl-pyrrole-2-carboxylic acid (CAS No. 865186-82-9)

5-Bromo-1-methyl-pyrrole-2-carboxylic acid (CAS No. 865186-82-9) is a heterocyclic organic compound with significant applications in pharmaceutical and agrochemical research. This brominated pyrrole derivative is characterized by its unique molecular structure, featuring a carboxylic acid functional group at the 2-position and a methyl group at the 1-position of the pyrrole ring. Its CAS number 865186-82-9 serves as a universal identifier in chemical databases, ensuring precise tracking in regulatory and commercial contexts.

The compound’s molecular formula C6H6BrNO2 and molecular weight 204.02 g/mol make it a versatile intermediate in synthetic chemistry. Researchers frequently employ 5-bromo-1-methyl-pyrrole-2-carboxylic acid in the development of drug candidates, particularly for its role in constructing pyrrole-based scaffolds. These scaffolds are pivotal in designing kinase inhibitors and anti-inflammatory agents, aligning with current trends in targeted therapy and personalized medicine.

In agrochemical applications, this compound is explored for its potential as a bioactive building block in crop protection agents. Its bromine substituent enhances reactivity, enabling selective modifications for pesticide development. Given the rising demand for sustainable agriculture, 5-bromo-1-methyl-pyrrole-2-carboxylic acid is gaining attention for its eco-friendly derivatization pathways.

Synthetic accessibility is another highlight. The compound can be prepared via electrophilic aromatic bromination of 1-methyl-pyrrole-2-carboxylic acid, followed by purification. Its crystalline solid form at room temperature ensures stability during storage and handling. Analytical techniques like HPLC, NMR, and mass spectrometry are routinely used to validate its purity, a critical factor for GMP-compliant production.

From a commercial perspective, CAS 865186-82-9 is supplied by specialty chemical manufacturers under stringent quality controls. Pricing trends reflect its niche demand, with bulk procurement options available for industrial-scale applications. Regulatory compliance, including REACH and FDA guidelines, is thoroughly documented, ensuring its safe use in research and production.

Emerging trends in AI-driven drug discovery have further amplified interest in this compound. Computational models often leverage its structural features to predict bioactivity, reducing experimental overhead. This synergy between wet-lab chemistry and in silico design underscores its relevance in modern high-throughput screening platforms.

Environmental and safety profiles are also well-studied. The compound exhibits low eco-toxicity, making it suitable for green chemistry initiatives. Proper disposal protocols and biodegradability studies align with global ESG (Environmental, Social, and Governance) standards, a key concern for responsible sourcing.

In summary, 5-bromo-1-methyl-pyrrole-2-carboxylic acid (CAS No. 865186-82-9) is a multifaceted compound bridging pharmaceutical innovation and agrochemical sustainability. Its synthetic versatility, regulatory compliance, and compatibility with cutting-edge technologies position it as a valuable asset in contemporary chemical research.

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