The Chemical Structure and Synthesis of 1-Fluoro-3,5-dimethylbenzene (CAS 461-97-2)
1-Fluoro-3,5-dimethylbenzene, more commonly referred to as 5-Fluoro-m-xylene and identified by CAS 461-97-2, is a cornerstone chemical intermediate for numerous advanced applications. Its molecular architecture, featuring a benzene ring substituted with two methyl groups at the meta positions and a fluorine atom, dictates its unique reactivity and utility. Understanding the synthesis pathways for this compound is crucial for chemical manufacturers aiming to produce high-value products. Companies specializing in fine chemicals, particularly those based in China, are key players in its production and supply.
The structure of 5-fluoro-m-xylene (C8H9F) is that of a benzene ring with methyl groups at positions 1 and 3, and a fluorine atom at position 5. This specific arrangement of substituents is responsible for its chemical behavior. The fluorine atom, being highly electronegative, influences the electron density distribution within the aromatic ring, making it amenable to specific electrophilic and nucleophilic substitution reactions. This makes it a valuable component in crafting complex organic molecules.
The synthesis of 5-fluoro-m-xylene often begins with precursors like 3,5-dimethylaniline. A typical synthetic route involves the diazotization of 3,5-dimethylaniline using nitrous acid, usually generated in situ from sodium nitrite and a mineral acid. The resulting diazonium salt is then reacted with a fluoride source, such as tetrafluoroboric acid (HBF4) or its salts (e.g., NaBF4 or KBF4), in what is known as the Balz-Schiemann reaction. The diazonium tetrafluoroborate intermediate is then thermally decomposed, liberating nitrogen gas and yielding 5-fluoro-m-xylene. This method requires meticulous control over reaction temperatures and reagent stoichiometry to achieve high yields and purity. NINGBO INNO PHARMCHEM CO.,LTD. is equipped to manage these complex synthetic procedures.
Alternative synthesis strategies might involve different fluorination techniques or modifications of the m-xylene structure. The choice of method depends on factors such as feedstock availability, desired scale, cost-effectiveness, and environmental considerations. For chemical manufacturers, mastering these synthetic routes is key to ensuring a competitive edge. The demand for fluorinated compounds like 1-fluoro-3,5-dimethylbenzene is driven by their indispensable role in pharmaceuticals, agrochemicals, and material science. When researchers and manufacturers seek to buy 5-fluoro-m-xylene, they are often looking for a reliable partner like NINGBO INNO PHARMCHEM CO.,LTD. that can consistently deliver this foundational chemical intermediate.
The structure of 5-fluoro-m-xylene (C8H9F) is that of a benzene ring with methyl groups at positions 1 and 3, and a fluorine atom at position 5. This specific arrangement of substituents is responsible for its chemical behavior. The fluorine atom, being highly electronegative, influences the electron density distribution within the aromatic ring, making it amenable to specific electrophilic and nucleophilic substitution reactions. This makes it a valuable component in crafting complex organic molecules.
The synthesis of 5-fluoro-m-xylene often begins with precursors like 3,5-dimethylaniline. A typical synthetic route involves the diazotization of 3,5-dimethylaniline using nitrous acid, usually generated in situ from sodium nitrite and a mineral acid. The resulting diazonium salt is then reacted with a fluoride source, such as tetrafluoroboric acid (HBF4) or its salts (e.g., NaBF4 or KBF4), in what is known as the Balz-Schiemann reaction. The diazonium tetrafluoroborate intermediate is then thermally decomposed, liberating nitrogen gas and yielding 5-fluoro-m-xylene. This method requires meticulous control over reaction temperatures and reagent stoichiometry to achieve high yields and purity. NINGBO INNO PHARMCHEM CO.,LTD. is equipped to manage these complex synthetic procedures.
Alternative synthesis strategies might involve different fluorination techniques or modifications of the m-xylene structure. The choice of method depends on factors such as feedstock availability, desired scale, cost-effectiveness, and environmental considerations. For chemical manufacturers, mastering these synthetic routes is key to ensuring a competitive edge. The demand for fluorinated compounds like 1-fluoro-3,5-dimethylbenzene is driven by their indispensable role in pharmaceuticals, agrochemicals, and material science. When researchers and manufacturers seek to buy 5-fluoro-m-xylene, they are often looking for a reliable partner like NINGBO INNO PHARMCHEM CO.,LTD. that can consistently deliver this foundational chemical intermediate.
Perspectives & Insights
Agile Reader One
“The synthesis of 5-fluoro-m-xylene often begins with precursors like 3,5-dimethylaniline.”
Logic Vision Labs
“A typical synthetic route involves the diazotization of 3,5-dimethylaniline using nitrous acid, usually generated in situ from sodium nitrite and a mineral acid.”
Molecule Origin 88
“The resulting diazonium salt is then reacted with a fluoride source, such as tetrafluoroboric acid (HBF4) or its salts (e.”