What Is 3-Fluoro-2-methylbenzeneboronic Acid CAS 163517-61-1 Used For in Organic Synthesis?

3-Fluoro-2-methylbenzeneboronic acid, CAS 163517-61-1, is primarily used as an aryl-boron building block in organic synthesis. Its boronic acid group enables palladium-catalyzed Suzuki–Miyaura cross-coupling with suitable aryl, heteroaryl, or vinyl halides, while the fluorine and methyl substituents introduce defined electronic and steric features into the product. Researchers may use it to prepare substituted biaryl compounds, medicinal chemistry intermediates, agrochemical research compounds, and advanced materials. At Maison Chemical, we support B2B buyers by discussing identity, intended application, documentation, packaging, and supply requirements before an order is finalized.

View Details

Core Synthetic Role of CAS 163517-61-1

The defining functional group in this compound is the aryl boronic acid moiety. In a typical Suzuki–Miyaura reaction, the boronic acid partner reacts with an aryl or heteroaryl halide in the presence of a suitable palladium catalyst and base, forming a new carbon–carbon bond. This makes 3-fluoro-2-methylbenzeneboronic acid useful when a synthesis requires a 3-fluoro-2-methylphenyl fragment to be introduced at a later stage.

The molecular formula commonly assigned to this structure is C₇H₈BFO₂, with a calculated molecular weight of approximately 153.95 g/mol. The molecule contains one boronic acid group, one fluorine atom, and one methyl group on the aromatic ring. Buyers should still confirm the exact product identity, formula, molecular weight, analytical data, and appearance against the supplier’s current specification and certificate of analysis.

What Is It Used For in Organic Synthesis?

1. Suzuki–Miyaura Cross-Coupling

The most established use is as a coupling partner for carbon–carbon bond formation. Depending on the reaction design, it can be paired with aryl bromides, aryl iodides, selected aryl chlorides, heteroaryl halides, or related electrophiles. The resulting products may contain a fluorinated and methyl-substituted biaryl structure that can serve as an intermediate for additional functionalization.

Reaction performance depends on more than the boronic acid alone. Catalyst selection, ligand system, base, solvent, temperature, substrate compatibility, and reaction concentration can all influence conversion and selectivity. For this reason, I recommend treating the compound as a strategic building block rather than assuming that one general reaction condition will work for every substrate.

2. Medicinal Chemistry and Pharmaceutical Research

Fluorinated aromatic fragments are frequently explored in medicinal chemistry because fluorine can influence molecular lipophilicity, metabolic behavior, conformation, and electronic properties. The methyl group can further modify steric environment and hydrophobic character. By coupling CAS 163517-61-1 with a suitably functionalized heteroaryl or aryl partner, researchers can create analogues for structure–activity relationship studies.

This use does not mean that every resulting compound will show a particular biological effect. Instead, the value of the building block is its ability to provide a defined substitution pattern that can be incorporated into a compound library or optimization series. Final biological performance must be established through the buyer’s own validated assays and research process.

3. Agrochemical and Specialty Chemical Research

The same carbon–carbon bond-forming capability can be useful in the preparation of substituted aromatic intermediates for agrochemical discovery and specialty chemical development. Fluorine-containing aromatic structures are often considered during molecular design when changes in stability, polarity, or physicochemical behavior are being evaluated. The compound may therefore be used in route scouting, analogue synthesis, or preparation of reference intermediates.

Its suitability depends on the target structure and the downstream reaction sequence. A project team should assess whether the boronic acid is compatible with other sensitive groups in the planned substrate, especially when multiple coupling or deprotection steps are required.

4. Materials and Functional Molecule Synthesis

Substituted biaryl units can also appear in research related to organic materials, ligands, fluorescent molecules, and other functional aromatic systems. In these applications, the fluorine and methyl substituents may be used to tune the electronic or steric profile of a larger molecule. CAS 163517-61-1 is most relevant when the synthetic plan specifically calls for the 3-fluoro-2-methylphenyl motif.

You will get efficient and thoughtful service from Maison Chemical.

For materials research, the compound is usually a building block rather than a finished material. The final performance of a polymer, ligand, or functional molecule depends on the complete molecular architecture, purity profile, and processing method, not on this intermediate alone.

Key Structural and Specification Considerations

When evaluating this product, buyers should distinguish between identity information and batch-specific quality information. The CAS number provides an important reference, but procurement teams should also review the supplier’s product name, chemical structure, molecular formula, molecular weight, assay method, impurity profile, water content where relevant, and storage guidance. A certificate of analysis should be requested for the actual production batch whenever the material is intended for a regulated or highly sensitive research workflow.

The boronic acid group is chemically useful but may also require practical attention during storage and handling. Buyers should follow the supplier’s safety data sheet, use appropriate laboratory controls, and avoid assuming that a generic storage condition is suitable for every batch. If the material will be used in a sensitive coupling sequence, I recommend confirming packaging size, recommended storage temperature, retest information, and shipping conditions before purchase.

How to Select the Right Supply Option

Match the Material to the Application

For early route scouting, a small research quantity may be sufficient, while process development or repeated medicinal chemistry campaigns may require consistent multi-batch supply. The appropriate quantity depends on the number of reactions, expected yield, analytical consumption, rework allowance, and scale-up plans. I encourage buyers to share the intended application and approximate annual demand so that the supply discussion is based on actual project needs.

Review Quality Documentation

A reliable supplier should be able to clarify which documents are available, such as a certificate of analysis, safety data sheet, product specification, packing information, and applicable export documents. The level of documentation should match the buyer’s internal quality system and intended use. Claims about purity, compliance, or suitability should be supported by current batch records rather than by general marketing language.

Consider Supply Continuity

Price is only one part of the purchasing decision. Lead time, minimum order quantity, packaging flexibility, batch consistency, communication speed, and the supplier’s ability to support repeat orders can affect the total project cost. For a compound used in a multi-step synthesis, an unexpected delay may be more disruptive than a modest difference in unit price.

Maison Chemical Supplier Support

At Maison Chemical, we supply 3-fluoro-2-methylbenzeneboronic acid CAS 163517-61-1 for customers evaluating aromatic boronic acid building blocks in research and development. We can help buyers review product identity, available specification information, packaging options, documentation needs, and delivery requirements. We do not replace the buyer’s own technical validation, but we aim to make the sourcing process clearer and more efficient.

For an accurate quotation, please provide the required quantity, destination country, preferred packaging, target delivery schedule, and any documentation requirements. If your project involves scale-up, repeated purchasing, or a sensitive cross-coupling sequence, sharing that context can help us recommend a more appropriate supply plan. Availability, lead time, and commercial terms should be confirmed for the specific order before purchase.

Key Takeaways

• 3-Fluoro-2-methylbenzeneboronic acid, CAS 163517-61-1, is an aryl-boron building block used mainly for carbon–carbon bond formation.
• Its principal synthetic application is Suzuki–Miyaura coupling with suitable aryl, heteroaryl, or vinyl electrophiles.
• The fluorine and methyl substituents provide a defined aromatic motif for medicinal chemistry, agrochemical, specialty chemical, and materials research.
• The commonly assigned molecular formula is C₇H₈BFO₂, and the calculated molecular weight is approximately 153.95 g/mol.
• Buyers should verify batch-specific identity, assay, impurity data, documentation, packaging, storage guidance, and lead time.

Conclusion: When Should You Use This Building Block?

You should consider 3-fluoro-2-methylbenzeneboronic acid when your synthetic route requires installation of a 3-fluoro-2-methylphenyl group through a practical aryl coupling strategy. Its strongest value is as a defined intermediate for biaryl and related aromatic structures, particularly in medicinal chemistry and other discovery-focused programs. It is not a universal reagent, so final suitability must be checked against the electrophile, catalyst system, functional-group tolerance, and purification plan.

The next step is to compare your target structure with the reactivity expected from this boronic acid, then confirm the required quality level and quantity with a qualified supplier. Maison Chemical can support that evaluation with product information, batch documentation, packaging discussion, and a B2B quotation. Contact our team with your project specifications so we can help you assess the most practical sourcing route.

Want more information on 3-Fluoro-2-methylbenzeneboronic acid CAS 163517-61-1? Feel free to contact us.