Dimethyl 5-ethynylisophthalate (CAS: 313648-56-5) is a valuable organic compound that plays a significant role in modern chemical synthesis, particularly within the pharmaceutical and materials science sectors. Its distinct chemical structure, featuring an ethynyl group and ester functionalities on an aromatic backbone, offers a unique platform for creating complex molecules. Understanding its properties and reactivity is key for R&D scientists and formulators seeking to buy this intermediate.

Chemical Structure and Properties

The compound, with the molecular formula C12H10O4 and a molecular weight of approximately 218.205 g/mol, is typically supplied as an off-white crystalline powder. Its key characteristic is the presence of the terminal alkyne (ethynyl) group, which is highly reactive and can participate in a wide array of coupling reactions, such as Sonogashira coupling, click chemistry (Huisgen cycloaddition), and other alkyne-based transformations. The two methyl ester groups on the isophthalate core are also amenable to various reactions, including hydrolysis to carboxylic acids, transesterification, or reduction to alcohols, further enhancing its utility as a versatile building block.

Applications in Organic Synthesis and Pharmaceutical Development

The primary application of Dimethyl 5-ethynylisophthalate is as a pharmaceutical intermediate. It serves as a crucial starting material or synthon for the construction of complex Active Pharmaceutical Ingredients (APIs). For instance, the ethynyl group can be modified to introduce various pharmacophores or linker units into drug molecules. Its aromatic nature also provides rigidity and specific electronic properties that can be beneficial in drug design.

Beyond pharmaceuticals, this compound finds utility in materials science. Researchers might use it to synthesize functional polymers, metal-organic frameworks (MOFs), or organic electronic materials where the ethynyl group can be polymerized or used for cross-linking. The precise incorporation of this functionalized aromatic ester allows for tailoring material properties like thermal stability, optical characteristics, and mechanical strength.

Sourcing and Quality Assurance

When you decide to buy Dimethyl 5-ethynylisophthalate, sourcing from reputable manufacturers, especially those based in China, is recommended for competitive pricing and reliable quality. Manufacturers typically offer this compound with high purity (e.g., 98%), which is essential for achieving reproducible results in synthesis. It is advisable to always request a Certificate of Analysis (CoA) to confirm the product's specifications and purity before making a purchase. Understanding the supplier's capacity and their ability to provide consistent batches is also important for long-term research or production needs.

Driving Innovation with Functional Intermediates

The availability of compounds like Dimethyl 5-ethynylisophthalate empowers chemists to explore new synthetic routes and develop innovative products. Whether you are a procurement specialist looking for a reliable supplier for your manufacturing needs or a research scientist pushing the boundaries of molecular discovery, this versatile intermediate offers significant potential. By ensuring you buy from trusted manufacturers, you can leverage its chemical versatility to drive your projects forward efficiently and cost-effectively.