For synthetic chemists and material scientists, understanding the fundamental properties and synthesis routes of key chemical intermediates is essential for innovation and efficient production. 4-(3-bromophenyl)-2,6-diphenylpyrimidine (CAS No.: 864377-28-6) is a complex organic molecule that has garnered attention for its utility as a pharmaceutical intermediate and its potential in advanced materials. Investigating its characteristics provides insight into its value and application.

The molecular structure of 4-(3-bromophenyl)-2,6-diphenylpyrimidine is central to its chemical behavior. It comprises a central pyrimidine ring, a nitrogen-containing heterocycle, flanked by phenyl groups at positions 2 and 6. At position 4, a 3-bromophenyl group is attached. This structure affords several key features: the pyrimidine ring contributes to electron deficiency and aromatic stability, the phenyl groups influence steric and electronic properties, and the bromine atom on the phenyl ring acts as a crucial reactive handle. The molecular formula is C22H15BrN2, and its molecular weight is approximately 387.27 g/mol. These values are fundamental for stoichiometric calculations in any synthetic endeavor.

Chemically, the bromine atom is the most significant functional group for further transformations. It is susceptible to nucleophilic aromatic substitution under specific conditions or, more commonly, participates in palladium-catalyzed cross-coupling reactions. This allows for the facile introduction of a wide variety of substituents, enabling the creation of diverse molecular architectures. For example, coupling with boronic acids (Suzuki reaction) can append other aromatic or aliphatic groups, while coupling with amines (Buchwald-Hartwig amination) can introduce nitrogen-containing functionalities. These reactions are indispensable for building complex organic molecules, including many pharmaceutical agents.

While specific, proprietary synthesis routes are developed by individual manufacturers, general approaches to synthesizing such brominated diarylpyrimidines often involve condensation reactions. A typical strategy might involve the reaction of an appropriately substituted chalcone or a related precursor with a source of the pyrimidine ring, followed by bromination, or the construction of the pyrimidine ring from smaller fragments already bearing the desired substituents. The challenge lies in achieving high regioselectivity and purity, especially for the bromination step, and ensuring efficient coupling of the large aromatic substituents. Manufacturers dedicated to producing this compound often refine these processes to achieve the desired high purity, typically 97% minimum, which is essential for its intended applications.

The physical properties also dictate its handling and application. As a white powder, it is a solid at room temperature, with a melting point typically observed between 134-138°C. This range is indicative of a relatively pure crystalline substance. Its density is reported as 1.345g/cm3. These physical characteristics are important for storage, formulation, and reaction setup. For any industrial or research application, understanding these properties, alongside its chemical reactivity, is key.

The primary utility of 4-(3-bromophenyl)-2,6-diphenylpyrimidine lies in its role as a pharmaceutical intermediate and a synthesis material. Its ability to undergo diverse cross-coupling reactions makes it a valuable precursor for APIs and for designing novel organic functional materials. Buyers looking to purchase this compound should seek out manufacturers who can reliably supply it with high purity and consistent specifications, often available from specialized chemical suppliers in China. Such intermediates are the unsung heroes behind many modern chemical innovations.