1-Bromo-4-isobutylbenzene, identified by its CAS number 2051-99-2, is a fascinating molecule that embodies the principles of modern organic chemistry. As a halogenated aromatic hydrocarbon, it possesses a specific set of physical and chemical properties that make it a valuable reagent and intermediate in numerous synthetic pathways. Its structure, featuring a para-substituted benzene ring with a bromine atom and an isobutyl group, dictates its reactivity and its utility in the creation of more complex organic compounds, particularly within the pharmaceutical and fine chemical sectors.

The molecular formula of 1-Bromo-4-isobutylbenzene is C10H13Br, and its molecular weight is approximately 213.11 g/mol. Typically appearing as a clear liquid, it has a density of about 1.24 g/cm³. The boiling point is noted at 237°C at 760 mmHg, indicating a relatively low volatility at room temperature. Its chemical reactivity is primarily influenced by the presence of the bromine atom, which is an excellent leaving group in nucleophilic substitution and palladium-catalyzed coupling reactions, such as Suzuki, Heck, and Sonogashira couplings. These reactions are fundamental to building carbon-carbon bonds, a cornerstone of organic synthesis.

The 1-Bromo-4-isobutylbenzene synthesis often involves the bromination of isobutylbenzene. Understanding the nuances of these synthetic routes is crucial for manufacturers aiming for high purity and yield. The isobutyl group provides a degree of steric hindrance and lipophilicity, which can influence the solubility and reactivity of the molecule in different solvent systems and reaction environments. Researchers often explore different 1-Bromo-4-isobutylbenzene applications by exploiting these structural features in their synthetic strategies.

The significance of 1-Bromo-4-isobutylbenzene as an intermediate stems from its ability to introduce the 4-isobutylphenyl moiety into target molecules. This fragment can be critical for tuning the pharmacological properties of drug candidates, affecting factors like receptor binding, metabolism, and bioavailability. Therefore, the reliable availability of CAS 2051-99-2 is essential for the advancement of pharmaceutical research. The precise control over the 1-Bromo-4-isobutylbenzene applications allows chemists to design and construct molecules with tailored properties, driving innovation in chemical sciences.