• 1. Estimation of activation energy for electroporation and pore growth rate in liquid crystalline and gel phases of lipid bilayers using molecular dynamics simulations?
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• 2. Fe3O4 nanoparticle chains with N-doped carbon coating: magnetotactic bacteria assisted synthesis and high-rate lithium storage?
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• 3. Exceptional activity of sub-nm Pt clusters on CdS for photocatalytic hydrogen production: a combined experimental and first-principles study?
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• Solvents and Organic Chemicals Organic Compounds Organohalogen compounds Aryl halides Aryl bromides

Comprehensive Overview of 1-(3-Bromo-isoxazol-5-YL)-ethanol (CAS No. 105174-96-7): Properties, Applications, and Industry Insights

1-(3-Bromo-isoxazol-5-YL)-ethanol (CAS No. 105174-96-7) is a specialized organic compound featuring a brominated isoxazole core linked to an ethanol moiety. This structure endows it with unique reactivity, making it valuable in synthetic chemistry, pharmaceutical intermediates, and agrochemical research. The presence of the 3-bromo-isoxazole group enhances its electrophilic properties, while the hydroxyl group offers functional versatility for further derivatization. Researchers and manufacturers increasingly focus on this compound due to its role in developing novel bioactive molecules, aligning with trends in green chemistry and precision synthesis.

In pharmaceutical applications, 1-(3-Bromo-isoxazol-5-YL)-ethanol serves as a key intermediate for constructing heterocyclic scaffolds. Its bromine substituent facilitates cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are pivotal in drug discovery. Recent studies highlight its utility in synthesizing potential kinase inhibitors or antimicrobial agents, addressing global demand for targeted therapies. The compound’s compatibility with flow chemistry techniques further boosts its appeal, as industries seek scalable, waste-minimized processes.

From an analytical perspective, CAS No. 105174-96-7 exhibits distinct spectroscopic signatures. Nuclear magnetic resonance (NMR) spectra typically show characteristic peaks for the isoxazole proton (δ 6.5–7.5 ppm) and the hydroxyl group (δ 2.0–4.0 ppm). Mass spectrometry often reveals a molecular ion cluster around 207/209 m/z (due to bromine’s isotopic pattern). These features aid in quality control during production, a critical factor for buyers prioritizing high-purity intermediates.

Environmental and regulatory considerations for 1-(3-Bromo-isoxazol-5-YL)-ethanol emphasize proper handling under standard laboratory protocols. While not classified as hazardous under major chemical inventories, its brominated isoxazole structure warrants evaluation under REACH or TSCA frameworks. Sustainable alternatives to traditional bromination methods—such as enzymatic halogenation—are gaining traction, reflecting the industry’s shift toward eco-friendly synthesis.

The commercial landscape for CAS No. 105174-96-7 is shaped by demand from contract research organizations (CROs) and custom synthesis providers. Pricing trends correlate with bromine availability and the complexity of downstream applications. Suppliers increasingly offer custom synthesis services for derivatives, catering to niche markets like proteolysis-targeting chimeras (PROTACs) or covalent inhibitors. Patent analyses reveal growing IP activity around related structures, particularly in oncology and antiviral fields.

Future prospects for 1-(3-Bromo-isoxazol-5-YL)-ethanol hinge on advancements in catalytic bromination and heterocycle functionalization. As AI-driven molecular design accelerates, this compound’s role in fragment-based drug discovery may expand. Collaborative initiatives between academia and industry could unlock new applications in materials science, such as conductive polymers or photoactive coatings, further diversifying its market potential.

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• 700348-95-4(ISOXAZOLE, 3-BROMO-5-BUTYL-)
• 76596-55-9(2-bromo-1-(3-bromo-1,2-oxazol-5-yl)ethan-1-ol)
• 25742-00-1(3-Bromo-5-hydroxymethylisoxazole)
• 1220521-36-7(3-Bromo-5-(methoxymethyl)isoxazole)
• 138891-75-5(1,4-Butanediol, 1,4-bis(3-bromo-5-isoxazolyl)-, (R*,R*)-(±)-)
• 189893-66-1(Isoxazole, 3-bromo-5-(2-bromoethyl)-)
• 1780726-89-7(3-Bromo-5-(tert-butyl)isoxazole)
• 21169-69-7(5-Isoxazolemethanol, α-methyl-)
• 105175-00-6(3-Bromo-5-isoxazoleethanol)