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Comprehensive Overview of 2-(4-iodo-1H-pyrazol-1-yl)acetaldehyde (CAS No. 1172074-04-2): Properties, Applications, and Industry Insights

2-(4-iodo-1H-pyrazol-1-yl)acetaldehyde (CAS No. 1172074-04-2) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique molecular structure. This iodo-substituted pyrazole derivative features an acetaldehyde functional group, making it a versatile intermediate for synthesizing heterocyclic compounds. Researchers are increasingly exploring its potential in drug discovery, particularly for targeting enzyme inhibition and modulating biological pathways.

The compound's 4-iodo-1H-pyrazole core is a key structural motif in medicinal chemistry, often associated with bioactivity. Its aldehyde group offers reactivity for condensation or nucleophilic addition reactions, enabling diverse derivatization. Recent studies highlight its role in developing kinase inhibitors and antimicrobial agents, aligning with the growing demand for novel therapeutic scaffolds. The presence of iodine enhances its utility in radiolabeling applications, a hotspot in diagnostic imaging research.

From a synthetic perspective, 2-(4-iodo-1H-pyrazol-1-yl)acetaldehyde serves as a building block for click chemistry applications, addressing the need for efficient modular synthesis. Its compatibility with Huisgen cycloaddition (a trending topic in drug discovery forums) makes it valuable for constructing triazole-linked pharmacophores. Industry reports suggest rising interest in this compound for covalent inhibitor development, where its electrophilic aldehyde can form reversible bonds with target proteins.

Environmental and stability studies indicate that proper handling of iodo-pyrazole derivatives requires inert atmosphere storage to prevent degradation. Analytical characterization typically involves NMR spectroscopy (especially ¹H and ¹³C) and mass spectrometry, with the iodine isotope pattern serving as a distinctive signature. These analytical approaches are frequently searched by quality control professionals in API manufacturing.

Market trends show growing procurement of 1172074-04-2 by contract research organizations (CROs) specializing in fragment-based drug design. The compound's molecular weight (238.03 g/mol) and Lipinski rule compliance make it attractive for lead optimization. Patent analysis reveals its incorporation in anticancer and anti-inflammatory candidate molecules, reflecting industry focus areas.

For synthetic chemists, the 1H-pyrazol-1-yl moiety offers nitrogen-rich coordination sites for metal complexation, relevant to catalysis research. This aligns with academic searches for transition metal ligands. The compound's purity specifications (typically >95% by HPLC) meet stringent requirements for preclinical studies, a common concern among pharmaceutical buyers.

Emerging applications include its use in PROTAC (Proteolysis Targeting Chimera) development, where its bifunctional nature enables linker construction. This connects to the booming interest in targeted protein degradation therapies. Computational chemistry studies suggest favorable docking scores for this scaffold against several disease-relevant proteins.

Supply chain data indicates that 2-(4-iodo-1H-pyrazol-1-yl)acetaldehyde is primarily available through specialty chemical suppliers with GMP-compliant synthesis capabilities. Storage recommendations typically suggest -20°C protection from light, addressing stability questions frequently raised in laboratory forums. The compound's REACH compliance status makes it accessible for European research initiatives.

Recent scientific literature emphasizes the compound's role in developing allosteric modulators, particularly for GPCR targets - a hot topic in neuroscience research. Its structure-activity relationship (SAR) studies contribute to understanding steric and electronic effects in molecular recognition, a fundamental concept in chemical biology courses.

Quality assurance protocols for CAS 1172074-04-2 emphasize residual solvent analysis, especially for genotoxic impurity control - a critical compliance aspect in pharma manufacturing. Analytical method development for this compound often involves UHPLC-MS techniques, reflecting instrumentation trends in modern labs.

In material science, derivatives of this compound show promise in organic electronics due to their electron-withdrawing characteristics. This intersects with searches for OLED materials and conductive polymers. The iodine atom facilitates further functionalization via cross-coupling reactions, a staple in synthetic methodology papers.

Safety assessments recommend standard organic laboratory precautions when handling 2-(4-iodo-1H-pyrazol-1-yl)acetaldehyde, with particular attention to its aldehyde reactivity. This aligns with workplace safety searches in chemical industries. The compound's SDS documentation typically highlights proper ventilation and PPE requirements.

From a regulatory perspective, 1172074-04-2 falls under research chemicals classification, with documentation requirements varying by jurisdiction. Its non-narcotic status facilitates international shipping for legitimate research purposes, though proper customs declarations are essential - a common query among international researchers.

The future outlook for this compound appears promising, with patent filings showing a 20% annual increase in citations since 2020. This growth trajectory mirrors the pharmaceutical industry's focus on heterocyclic diversity in drug discovery pipelines. Continued research will likely uncover additional applications in bioconjugation and materials science.

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