In the dynamic field of organic chemistry and materials science, intermediates with specific structural features are invaluable for creating novel compounds. 5-tert-Butyl-m-xylene, identified by its CAS number 98-19-1, stands out as a versatile aromatic hydrocarbon intermediate. Understanding its chemical properties is key for researchers and manufacturers aiming to leverage its potential in various synthesis projects. This exploration delves into the properties of 5-tert-Butyl-m-xylene and its diverse applications, highlighting why it's a preferred choice for many chemical synthesis needs.

Chemical Properties and Structure

5-tert-Butyl-m-xylene, with the molecular formula C12H18 and a molecular weight of approximately 162.276 g/mol, is a substituted benzene derivative. Its structure features a tert-butyl group (-C(CH3)3) attached to a meta-xylene (1,3-dimethylbenzene) ring. This specific arrangement influences its reactivity, solubility, and physical characteristics. Typically appearing as a clear liquid with a melting point around -22°C and a boiling point between 207-209°C, it is moderately volatile and combustible (flash point ~84°C).

The presence of the bulky tert-butyl group can sterically hinder certain reactions at adjacent positions on the aromatic ring, while also influencing its electronic properties through its electron-donating inductive effect. These characteristics make it a unique building block for targeted chemical modifications.

Synthesis Applications and Uses

The primary utility of 5-tert-Butyl-m-xylene lies in its role as an intermediate in organic synthesis. Researchers often use it as a starting material for the preparation of more complex molecules. Its substituted aromatic ring can undergo various electrophilic aromatic substitution reactions, allowing for the introduction of functional groups at specific positions, guided by the directing effects of the existing methyl and tert-butyl substituents.

Potential applications include:

  • Pharmaceutical Intermediates: As a structural motif, derivatives of 5-tert-Butyl-m-xylene could be incorporated into the synthesis of active pharmaceutical ingredients (APIs) or their precursors. The tert-butyl group can contribute to lipophilicity or steric bulk, which are important considerations in drug design.
  • Agrochemicals: Similarly, its structure might be adapted for the synthesis of novel herbicides, insecticides, or fungicides, where specific aromatic frameworks are often required for biological activity.
  • Material Science: The compound and its derivatives could find use in the development of specialty polymers, functional materials, or performance chemicals where tailored aromatic structures are beneficial.
  • Research and Development: For R&D scientists, 5-tert-Butyl-m-xylene serves as a readily available starting material for exploring new reaction pathways and synthesizing novel chemical entities.

Procurement of 5-tert-Butyl-m-xylene

For those looking to purchase 5-tert-Butyl-m-xylene (CAS 98-19-1), it is advisable to source from established chemical manufacturers and suppliers. Companies specializing in fine chemicals, particularly those operating in China, are often key providers of such intermediates. When evaluating suppliers, consider factors like product purity, availability of technical data, minimum order quantities, and competitive pricing. Engaging with a reliable supplier ensures that you can buy this crucial intermediate with confidence, supporting your research and production needs.

Conclusion

5-tert-Butyl-m-xylene (CAS 98-19-1) is a valuable intermediate due to its specific chemical structure and reactivity. Its applications in synthesis make it a critical component for researchers and manufacturers across various chemical industries. By understanding its properties and sourcing it from reputable manufacturers, you can effectively integrate this versatile compound into your next project.