What Is 4-tert-Buthoxyphenyl boronic acid CAS 176672-49-4? Properties, Uses, and Supplier Information
What Is 4-tert-Buthoxyphenyl Boronic Acid CAS 176672-49-4? Properties, Uses, and Supplier Information
4-tert-Buthoxyphenyl boronic acid, more conventionally written as 4-tert-butoxyphenylboronic acid, is an aryl boronic acid used as a synthetic building block in organic and medicinal chemistry. It contains a boronic acid group attached to a para-tert-butoxy-substituted phenyl ring, giving it useful reactivity in palladium-catalyzed carbon–carbon bond formation. The compound is identified by CAS Number 176672-49-4 and is generally purchased for research, process development, and specialty chemical synthesis rather than as a finished active ingredient.
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In practical terms, I view this material as a coupling reagent or intermediate. Its primary value is the boronic acid functionality, while the tert-butoxy substituent modifies the electronic and physical behavior of the aromatic ring. Buyers should confirm the exact structure, assay, water content, residual solvents, packaging, and analytical documentation before using it in a regulated or scale-sensitive project.
What Is 4-tert-Butoxyphenylboronic Acid?
4-tert-Butoxyphenylboronic acid is an organoboron compound containing an aromatic boronic acid group and a tert-butoxy substituent in the para position. The boronic acid group can participate in Suzuki–Miyaura coupling with suitable aryl or heteroaryl halides under appropriate catalyst, base, solvent, and temperature conditions. The para-tert-butoxy group remains part of the resulting molecule and may be useful when a protected or oxygenated aromatic substituent is required.
The molecular formula is commonly represented as C10H15BO3, with a calculated molecular weight of approximately 194.04 g/mol. Because commercial naming can vary, I recommend checking the supplier’s structure, molecular formula, and analytical data rather than relying only on a catalog title. The supplied material may appear as a solid, but exact color, particle size, and physical form should be confirmed from the current batch specification.
Core Functions and Chemical Value
Suzuki–Miyaura Coupling Building Block
The most important function of this compound is to provide a 4-tert-butoxyphenyl fragment during cross-coupling chemistry. In a typical reaction design, the boronic acid reacts with an aryl, heteroaryl, or vinyl halide to form a new carbon–carbon bond. The actual conversion depends on substrate compatibility, catalyst selection, base strength, solvent system, atmosphere, and reaction temperature, so I do not treat the name alone as a guarantee of yield.
Aromatic Intermediate for Multi-Step Synthesis
The compound can also serve as an intermediate in the preparation of more complex pharmaceutical, agrochemical, materials, and fine chemical structures. The tert-butoxy substituent can influence polarity, steric environment, and downstream functional-group planning. Whether it is retained, transformed, or removed depends on the synthetic route and the stability of the target molecule.
Application Scenarios
Research chemists may select CAS 176672-49-4 when they need a para-substituted aryl boronic acid for library synthesis or route screening. It can be relevant to medicinal chemistry programs where multiple biaryl analogues are prepared from a common coupling strategy. It may also be considered in process research when a specific oxygen-containing aryl fragment is needed at an intermediate stage.
Its use is not limited to one industry, but the material should be evaluated against the intended reaction rather than selected solely by structural similarity. For example, a medicinal chemistry project may prioritize small-pack availability and rapid analytical confirmation, while a process development project may focus on lot consistency, impurity profiling, scalable packaging, and reliable replenishment. These different requirements can lead to different purchasing decisions.
Key Properties and Specifications to Review
| Item | Information to Confirm | Why It Matters |
|---|---|---|
| Identity | 4-tert-butoxyphenylboronic acid; CAS 176672-49-4 | Prevents confusion with positional isomers or similarly named boronic acids. |
| Molecular data | Formula commonly listed as C10H15BO3; approximately 194.04 g/mol | Supports reaction calculations, material planning, and analytical review. |
| Assay | Supplier-specific specification, often requested as an HPLC or GC-related value | Helps determine whether the lot is appropriate for screening or scale-up. |
| Water and residual solvents | Batch-specific results by an agreed analytical method | Moisture and volatile residues can affect sensitive coupling reactions. |
| Appearance and packaging | Solid form, net weight, container type, and labeling | Supports safe handling, inventory control, and laboratory operation. |
I recommend asking for a current certificate of analysis before placing a production-oriented order. A buyer may use an internal screening specification such as an assay threshold of 98%, but that number should be treated as a project requirement or negotiation point, not as an unverified claim about every available lot. For initial route evaluation, a 1 g sample can be useful for confirming solubility, reaction conversion, isolation behavior, and analytical compatibility before a larger purchase.
How Buyers Should Evaluate Material Quality
Confirm the Structure and Analytical Package
First, I compare the supplier’s product name, CAS number, structure, formula, and molecular weight. I then request the available analytical package, which may include HPLC, NMR, mass spectrometry, water content, residual solvent information, or other tests agreed for the project. The relevant tests depend on the intended use, and not every project requires the same level of documentation.
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Match Purity to the Synthetic Stage
High-purity material is valuable, but the correct specification depends on the role of the compound. A discovery-stage reaction may require a practical research grade, while a process route can require tighter impurity controls and stronger batch-to-batch consistency. I advise buyers to define acceptance criteria before comparing quotations, because a low unit price may not represent the lowest total project cost if additional purification or troubleshooting is required.
Review Stability, Storage, and Handling Information
Organoboron compounds should be stored and handled according to the supplier’s safety data sheet, product specification, and applicable laboratory procedures. The buyer should confirm recommended temperature, protection from moisture or light where applicable, container closure, and retest guidance. I avoid assigning a universal shelf life or storage condition without batch-specific documentation because packaging and formulation can influence stability.
Supplier Information: What Maison Chemical Can Support
At Maison Chemical, we support B2B buyers sourcing organic boronic acids and related synthetic intermediates. Our role is to help customers clarify the required identity, quantity, purity target, packaging, documentation, and delivery expectation before quotation. This approach is especially useful when a project requires more than a catalog description.
For 4-tert-butoxyphenylboronic acid CAS 176672-49-4, I can help organize a request around the intended application, required sample size, analytical documentation, and target order volume. Depending on availability and project requirements, commercial discussions may include sample supply, regular laboratory packs, larger-volume packaging, custom documentation, and production planning. Final availability, lead time, and pricing must be confirmed against the current inventory and supplier production schedule.
For technical review, buyers should provide the desired quantity, target specification, destination country, packaging preference, and whether a current COA or additional testing is required. If the compound will enter a multi-step or regulated development process, it is also helpful to communicate the expected annual demand and documentation standard at the beginning. This allows us to recommend a sourcing route that is more aligned with the project lifecycle.
Important Limitations and Safe Use of the Information
CAS 176672-49-4 should not be assumed to be interchangeable with every para-substituted phenylboronic acid. Small structural changes can alter solubility, reaction rate, purification behavior, and impurity patterns. Buyers should also avoid assuming that a material suitable for laboratory discovery work automatically meets the requirements of process validation, regulated manufacturing, or long-term supply.
Handling decisions should be based on the supplier’s SDS and the customer’s own risk assessment. I recommend using appropriate engineering controls, personal protective equipment, accurate weighing practices, and validated waste procedures. Reaction conditions should be developed experimentally, beginning at a suitable laboratory scale and using analytical monitoring to confirm conversion and product quality.
Summary Insight
- 4-tert-butoxyphenylboronic acid, commonly written as 4-tert-butoxyphenylboronic acid, is an aryl boronic acid intermediate identified by CAS 176672-49-4.
- Its main synthetic role is participation in carbon–carbon bond-forming reactions, especially Suzuki–Miyaura coupling.
- The commonly listed molecular formula is C10H15BO3, with an approximate molecular weight of 194.04 g/mol.
- Buyers should verify identity, assay, water content, residual solvents, packaging, safety information, and current batch documentation.
- Maison Chemical can support quotation, sample evaluation, documentation review, packaging discussion, and supply planning for B2B chemical projects.
Conclusion: Is This the Right Intermediate for Your Project?
4-tert-butoxyphenylboronic acid CAS 176672-49-4 is a useful aromatic boronic acid building block when a synthesis requires the corresponding para-tert-butoxyphenyl group. Its suitability depends on the coupling partner, reaction design, purity requirement, and downstream quality expectations. The most reliable purchasing decision combines structural confirmation with batch-specific analytical and supply information.
As a next step, define your required quantity, assay target, documentation package, packaging format, and delivery destination. Then request a current specification or COA and, where appropriate, begin with a small sample for laboratory verification. Contact Maison Chemical with your project requirements so I can help assess the appropriate supply option for your organic boronic acid sourcing program.
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