2-Cyanophenylboronic acid 1,3-propanediol cyclic ester serves as a specialized compound in organic chemistry, known for linking a cyano group to a phenylboronic acid base through a 1,3-propanediol moiety. Chemists first notice its physical state—a solid under ambient conditions—with a crystalline appearance that carries a faint, sharp aroma. The compound’s structure features a boronic ester function ring-closed with 1,3-propanediol, tethered to a 2-cyanophenyl group, giving rise to unique reactivity and stability. Most labs and manufacturers appreciate its practicality as a raw material during the synthesis of more complex molecules, particularly in pharmaceuticals and advanced materials research.
The chemical formula for this ester is C12H14BNO3. Its molecular mass stands at just over 227.05 g/mol, critical for weighing and scaling in reactive processes. The solid appears as off-white flakes or crystalline powder, sometimes processed as pearls for easier handling and dosing. Though insoluble in water, it shows modest solubility in polar organic solvents—settings where most boronic esters get applied. Chemists often pick it for Suzuki coupling and other palladium-catalyzed cross-coupling reactions, benefiting from stability against hydrolysis under standard storage conditions. Handling this material, you might notice its melting point falls roughly between 85 and 95 °C, indicating sufficient thermal stability for routine laboratory work. Technicians check bulk density during shipment, often registering just above 1.1 g/cm³.
As a raw material, 2-cyanophenylboronic acid 1,3-propanediol cyclic ester holds tight specifications on purity, particle size, and moisture. Reputable suppliers supply the product with a minimum assay of 98%, based on HPLC or NMR analysis. You’ll find less than 0.5% total impurities, ensuring the material reacts predictably in fine chemistry. Its form factor ranges from coarse flakes to microcrystalline powders, with some vendors offering pre-dissolved solutions in organic solvents for direct use. The ester features in chemical inventories globally, registered under HS Code 2934999099 for customs, indicating its identity in trade channels as an aromatic organic compound based on boron. Packaging must keep the solid dry, as even short exposure to moisture can cause clumping or decomposition.
Research and manufacturing settings value this ester both for its reactivity and stability compared to free boronic acids, which often degrade much faster. It finds a role in the creation of arylated products, key for drug discovery. Students and lab technicians get instructions on using gloves and lab coats—for all practical purposes, 2-cyanophenylboronic acid 1,3-propanediol cyclic ester behaves as a mild irritant. No flash point means little vapor hazard, but as with most aromatics, working with open containers under fume hoods remains standard. In storage areas, you’ll often spot it on upper, dry shelves, drums or jars clearly labeled by batch and assay.
As with many organoboron compounds, risk comes mostly from skin and eye contact, less from inhalation or environmental persistence. Safety data sheets point out it can cause redness if touched or dust inhaled, but it neither builds up in the body nor the environment. Users should always wear gloves, goggles, and keep solutions off exposed skin, as boronic derivatives sometimes disrupt cell function in high doses. Instructions emphasize immediate washing with water after exposure. Disposal works through incineration in chemical waste facilities, avoiding release into drains or soil. For larger orders, shipments arrive in UN-certified drums to comply with hazardous materials transport guidelines, though the risk mainly lies in large-scale handling.
In my experience, main challenges relate to stability under humid or hot storage. Some advanced packaging—double-layer liners, vacuum-sealed pouches, small-dose ampoules—have become more common to combat this problem. In research circles, alternatives using different diol linkers appear in literature, trying to boost solubility or selectivity for specific reactions. Additional efforts could focus on greener synthesis, cutting out hazardous solvents or minimizing side products. Training lab staff on proper disposal and spill control helps prevent both workplace and environmental harm. Readers interested in large-scale procurement should push for transparency from suppliers about purity, particle size, and traceable raw material sourcing.
2-Cyanophenylboronic acid 1,3-propanediol cyclic ester often shows up behind the scenes, not as a headline-grabbing molecule, but as a reliable tool for modern synthesis. A compound with a clear structure, practical density, and manageable safety profile, it gives chemists a bridge between aromatic boronic acids and their target molecules. Real-world handling favors the material for its easy measurement, reduced dusting compared to fine powders, and flexibility in small- or batch-scale operations. Anyone aiming to use or scale up new chemical processes should keep an eye on purity levels, safe handling, and smart storage solutions to get the most from this dependable boronic ester.
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