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Comprehensive Overview of 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde (CAS No. 957313-16-5): Properties, Applications, and Industry Insights

1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde (CAS No. 957313-16-5) is a specialized organic compound gaining traction in pharmaceutical and agrochemical research due to its unique pyrazole-carbaldehyde backbone. This heterocyclic aldehyde features an allyl group and a methyl substituent, offering versatile reactivity for N-heterocyclic synthesis. Its molecular structure (C₈H₁₀N₂O) enables applications in drug intermediate design, particularly for kinase inhibitors and antimicrobial agents, aligning with the growing demand for small-molecule therapeutics.

Recent studies highlight the compound's role in click chemistry and bioconjugation, addressing trends in precision medicine and targeted drug delivery. Researchers frequently search for "pyrazole derivatives in drug discovery" or "CAS 957313-16-5 solubility," reflecting interest in its physicochemical properties (e.g., melting point: ~90–92°C, logP: ~1.8). The allyl moiety enhances its utility in palladium-catalyzed cross-coupling reactions, a hotspot in green chemistry methodologies.

In agrochemicals, 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde serves as a precursor for crop protection agents, responding to queries like "pyrazole aldehydes in pesticide formulation." Its electrophilic carbonyl group facilitates Schiff base formation, critical for developing biodegradable pesticides—a key focus amid rising environmental sustainability concerns. Analytical techniques such as HPLC purity testing (typically ≥97%) and NMR spectral data (δ 9.8 ppm for aldehyde proton) ensure quality control.

The compound's stability under inert atmospheres and compatibility with microwave-assisted synthesis (reducing reaction times by 60–70%) cater to industrial high-throughput screening needs. Patent analyses reveal its inclusion in anticancer scaffold designs, particularly for EGFR tyrosine kinase inhibitors, correlating with searches for "pyrazole-based oncology drugs."

From a commercial perspective, 957313-16-5 is supplied by specialty chemical vendors in gram-to-kilogram scales, with pricing influenced by chiral purity requirements. Storage recommendations (2–8°C, amber vials) and handling guidelines (use of nitrogen blankets) address FAQs about compound shelf life. Emerging applications in OLED materials (as electron-transport layers) further expand its market potential.

Regulatory compliance follows REACH and FDA GMP standards for non-hazardous intermediates, with SDS emphasizing low ecotoxicity (LC₅₀ >100 mg/L). Future research may explore its catalytic asymmetric reactions or metal-organic framework (MOF) functionalization, positioning 1-Allyl-5-methyl-1H-pyrazole-4-carbaldehyde as a multifaceted building block in 21st-century synthetic chemistry.

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