What Is 3,5-Dimethylphenylboronic acid CAS 172975-69-8 Used for in Organic Synthesis?

Author: Melody Liu

Sep. 15, 2026

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What Is 3,5-Dimethylphenylboronic Acid CAS 172975-69-8 Used for in Organic Synthesis?

3,5-Dimethylphenylboronic acid, CAS 172975-69-8, is primarily used as a boronic acid coupling partner in organic synthesis. Its most recognized role is the transfer of a 3,5-dimethylphenyl group into another molecule through palladium-catalyzed Suzuki–Miyaura cross-coupling. I supply this intermediate to research, pharmaceutical, agrochemical, and advanced-material development teams that need an aryl building block for route design and compound preparation.

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The compound is also useful in medicinal chemistry libraries, process-development studies, and the synthesis of substituted aromatic intermediates. Its two methyl groups alter the steric and electronic environment of the aromatic ring, which can help chemists explore structure–activity relationships. The exact suitability depends on the reaction partner, catalyst system, solvent, base, scale, and required quality profile.

Key Takeaways

  • 3,5-Dimethylphenylboronic acid is an aryl boronic acid building block identified by CAS 172975-69-8.
  • Its principal synthetic application is Suzuki–Miyaura coupling with suitable aryl or vinyl halides and related electrophiles.
  • The product has a reported molecular formula of C8H11BO2 and a molecular weight of approximately 149.98 g/mol.
  • It can support medicinal chemistry, intermediate synthesis, and research-scale route development, subject to reaction-specific validation.
  • Buyers should confirm identity, assay, impurity profile, packaging, documentation, and supply terms before placing an order.

What Is 3,5-Dimethylphenylboronic Acid?

3,5-Dimethylphenylboronic acid is an organoboron compound containing an aromatic ring, two methyl substituents, and a boronic acid functional group. The “3,5-dimethylphenyl” portion describes the position of the two methyl groups relative to the boronic acid-substituted carbon on the ring. This defined substitution pattern makes the material useful when a synthesis requires a specific substituted aryl fragment rather than an unsubstituted phenyl group.

The compound is commonly represented by the molecular formula C8H11BO2, with an approximate molecular weight of 149.98 g/mol. The CAS number 172975-69-8 is an important purchasing and identification reference because it distinguishes this material from other dimethylphenylboronic acid positional isomers. When I prepare a quotation, I recommend that customers use both the CAS number and the complete chemical name to reduce ordering ambiguity.

Core Functions in Organic Synthesis

Suzuki–Miyaura Cross-Coupling

The primary use of 3,5-dimethylphenylboronic acid is carbon–carbon bond formation through Suzuki–Miyaura coupling. In a typical reaction concept, the arylboronic acid reacts with an aryl, heteroaryl, vinyl, or related halide under a suitable palladium catalyst and base system. The process forms a new carbon–carbon bond while incorporating the 3,5-dimethylphenyl group into the target structure.

This transformation is valuable because chemists can combine a boronic acid building block with a separately prepared electrophile. That modular approach is useful during analogue preparation, where researchers need to change one aromatic substituent without redesigning the entire synthetic route. Reaction performance still depends on substrate compatibility, catalyst loading, base selection, water content, temperature, and work-up conditions, so I treat the material as a building block rather than a guarantee of reaction success.

Route Design and Molecular Diversification

In medicinal chemistry, the compound can be selected to introduce a 3,5-dimethyl-substituted aryl group into a small-molecule scaffold. The methyl groups may influence lipophilicity, steric demand, conformation, and interactions within a biological target, but the practical effect must be assessed for each molecule. Researchers may therefore use this boronic acid in parallel synthesis or focused analogue programs to compare substituted aromatic variants.

It can also serve as a practical intermediate for preparing more complex aromatic compounds. Depending on the target structure, the coupled product may undergo further functional-group transformations, ring construction, or purification steps. I recommend evaluating the complete route, not only the coupling step, because downstream stability and purification can affect the commercial value of a selected building block.

Common Application Scenarios

Pharmaceutical and Medicinal Chemistry Research

Pharmaceutical research teams may use 3,5-dimethylphenylboronic acid to prepare candidate molecules, reference compounds, and structure–activity relationship analogues. Its value is greatest when the target design specifically calls for the 3,5-dimethylphenyl motif. At early discovery stage, smaller research quantities may be appropriate, while process teams usually require more detailed analytical and supply information before scale-up.

Agrochemical and Specialty-Intermediate Development

Organic boronic acids are used as coupling partners in the preparation of substituted aromatic intermediates relevant to agrochemical and specialty-chemical research. The suitability of this particular compound depends on the required substitution pattern and the compatibility of the selected reaction sequence. I advise technical buyers to provide the intended transformation or target intermediate so that product documentation and supply planning can be matched to the project.

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Academic and Contract Research

Universities, contract research organizations, and independent laboratories may use the material for reaction screening, library synthesis, and proof-of-concept chemistry. These users often need a clearly identified compound, manageable package sizes, and documentation suitable for internal records. For projects involving repeated experiments, consistent lot information and appropriate storage guidance are also important purchasing considerations.

Material and Specification Considerations

Although the chemical identity is fixed by the CAS number, commercial products can differ in assay, impurity profile, physical form, packaging, and available documentation. Buyers should request the current product specification and certificate of analysis rather than assuming that every supplier uses the same acceptance criteria. I can discuss the required quality level according to the intended application, such as screening, route development, or a more controlled manufacturing process.

Item Buyer Consideration
Product identity 3,5-Dimethylphenylboronic acid; CAS 172975-69-8
Molecular formula C8H11BO2
Approximate molecular weight 149.98 g/mol
Quality documentation Confirm available specification, certificate of analysis, and analytical data
Packaging Match container size and protection to order quantity and handling requirements

For route development, I suggest reviewing assay together with relevant impurities and residual solvents where applicable. Boronic acids can require careful handling and storage because their physical and chemical behavior may be affected by moisture, temperature, and prolonged exposure to unsuitable conditions. The correct storage instruction should be taken from the product documentation supplied for the specific lot.

How Buyers Should Select the Right Supply Option

Match Quality to the Intended Use

Not every project needs the same purchasing specification. A preliminary reaction screen may focus on identity, availability, and a suitable assay, while a process-development project may require tighter impurity control, lot traceability, and additional analytical review. Before requesting a quotation, I recommend defining the reaction stage, estimated consumption, required package size, and documentation expectations.

Check Reaction and Formulation Compatibility

The boronic acid is only one component of the synthesis. The selected electrophile, palladium source, ligand, base, solvent, atmosphere, and purification method can all influence the outcome. If the first reaction is sensitive, customers should consider a small-scale feasibility study before committing to a larger purchase, especially when the material will be used in a new or unvalidated route.

Evaluate Supply Reliability

A useful supplier should provide clear identification, responsive technical communication, realistic lead-time information, and packaging appropriate for the shipment. I also recommend confirming whether the quoted material is available from current stock or requires production planning. For export orders, buyers should review shipping documents, regulatory requirements, and destination-country import conditions before finalizing the order.

How Maison Chemical Supports B2B Customers

At Maison Chemical, I support customers sourcing 3,5-Dimethylphenylboronic acid CAS 172975-69-8 for laboratory research, development programs, and commercial supply evaluation. I can help confirm the product identity, discuss the requested quality profile, and provide available documentation for technical and purchasing review. Where project information is available, I can also help align package size and delivery planning with the customer’s expected consumption.

I do not treat a standard product description as a substitute for project-specific communication. If a customer has a defined assay requirement, analytical method, packaging preference, or delivery destination, I recommend sharing those details before quotation. This allows me to respond with information that is more useful than a generic price or unqualified lead-time statement.

Conclusion: What Is It Used for?

3,5-Dimethylphenylboronic acid CAS 172975-69-8 is used mainly to introduce a 3,5-dimethylphenyl group into organic molecules, especially through Suzuki–Miyaura carbon–carbon cross-coupling. Its applications include medicinal chemistry, aromatic intermediate synthesis, agrochemical research, compound-library preparation, and synthetic route development. The compound is most appropriate when the target structure specifically benefits from this substituted aryl fragment.

The next step is to confirm the required quantity, quality level, documentation, packaging, and destination before purchase. Send Maison Chemical your target application, estimated order size, and specification requirements, and I can help prepare a practical B2B supply proposal for your project.

For more information, please visit 3,5-Dimethylphenylboronic acid CAS 172975-69-8.

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