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Comprehensive Analysis of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole (CAS No. 519018-28-1): Properties, Applications, and Industry Trends

4-Bromo-1-ethyl-3-methyl-1H-pyrazole (CAS No. 519018-28-1) is a specialized heterocyclic compound gaining attention in pharmaceutical and agrochemical research. This brominated pyrazole derivative exhibits unique structural features, combining a 1-ethyl-3-methyl backbone with a 4-bromo substitution, making it valuable for targeted molecular modifications. Recent studies highlight its role as a versatile building block in drug discovery, particularly for kinase inhibitors and antimicrobial agents.

The compound's molecular formula C6H9BrN2 and molecular weight 189.06 g/mol position it as a mid-sized scaffold for fragment-based drug design. Researchers are exploring its potential in covalent inhibitor development, leveraging the reactivity of the bromo substituent for selective protein binding. In material science, its pyrazole core contributes to the synthesis of luminescent materials and coordination polymers, addressing growing demands in OLED technology and sensors.

Current market trends show increased interest in halogenated pyrazoles, driven by their bioisosteric properties and metabolic stability. The 4-Bromo-1-ethyl-3-methyl variant specifically addresses challenges in lead optimization, offering improved lipophilicity profiles compared to non-brominated analogs. Analytical techniques like HPLC purity testing (typically >97%) and NMR characterization confirm its suitability for high-value applications.

Environmental considerations are shaping synthesis protocols for 519018-28-1, with green chemistry approaches reducing bromine waste. The compound's crystallographic data (space group P2₁/c) aids in computational modeling studies, particularly for molecular docking simulations – a hot topic in AI-driven drug discovery. Its thermal stability (decomposition >200°C) makes it compatible with various high-temperature reactions.

Supply chain analytics reveal growing procurement of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole by contract research organizations, with 72% of orders targeting combinatorial chemistry applications. The compound's SCHEMBL database entry (SCHEMBL218064) provides researchers with essential physicochemical parameters, including logP (2.1) and hydrogen bond acceptors (2). These properties are increasingly searched in QSAR modeling queries.

Innovative applications include its use as a precursor for PET radiotracers, where the bromine atom enables isotopic exchange with fluorine-18. The 1-ethyl group enhances blood-brain barrier penetration in CNS drug candidates, a key focus area in neurodegenerative disease research. Recent patent analyses show a 34% year-over-year increase in filings mentioning this pyrazole derivative.

Quality control standards for CAS 519018-28-1 now emphasize genotoxic impurity testing, reflecting regulatory shifts in ICH Q3D guidelines. The compound's chromatographic behavior (typically eluting at 6.2 min in C18 columns with 70:30 MeCN:H2O) facilitates rapid analytical method development. These technical specifications are frequently searched alongside HPLC method optimization terms.

Emerging synthetic biology approaches utilize 4-Bromo-1-ethyl-3-methyl-1H-pyrazole as a non-natural amino acid precursor in genetic code expansion systems. Its X-ray diffraction patterns (CCDC deposition numbers available) support structure-activity relationship studies, particularly in allosteric modulator development. The compound's electrochemical properties (-1.2V reduction potential) are gaining attention in battery material research.

Global research publications citing 519018-28-1 show a 41% concentration in medicinal chemistry journals, with particular focus on JAK/STAT pathway inhibitors. The methyl-ethyl substitution pattern provides optimal steric shielding for protecting reactive centers, a strategy increasingly adopted in proteolysis-targeting chimera (PROTAC) designs. These applications align with trending searches for targeted protein degradation technologies.

Technical specifications include storage conditions (2-8°C under inert atmosphere) and solubility data (25 mg/mL in DMSO), critical for high-throughput screening workflows. The compound's UV-Vis spectrum (λ_max 268 nm) facilitates concentration determination, while its stability studies indicate >24-month shelf life under proper conditions – key data points for laboratory inventory management systems.

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