4-Pentylbenzeneboronic Acid CAS 121219-12-3: Properties, Applications, and Supplier Guide

4-Pentylbenzeneboronic acid, identified by CAS No. 121219-12-3, is an aryl boronic acid used primarily as a research and synthesis intermediate. Its boronic acid group supports cross-coupling chemistry, while the para-pentyl substituent adds a nonpolar alkyl segment that can influence solubility, phase behavior, and the properties of molecules prepared from it. For purchasing, I recommend confirming identity, assay, water content, packaging, storage conditions, and intended reaction use before placing an order.

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The compound is commonly represented by the molecular formula C₁₁H₁₇BO₂, with a calculated molecular weight of approximately 192.07 g/mol. A theoretical amount of 192.07 mg corresponds to 1.00 mmol of material before accounting for assay or moisture. Because physical appearance, purity, and handling behavior can vary by batch, buyers should rely on the supplier’s current specification sheet, certificate of analysis, and safety documentation for release decisions.

Who This Guide Is For

This guide is intended for medicinal chemistry teams, process development groups, materials researchers, academic laboratories, and procurement professionals sourcing 4-Pentylbenzeneboronic acid. It is also useful for distributors that need to compare documentation and supply arrangements for an organic boronic acid. I focus on practical evaluation rather than presenting unverified performance claims or a fixed commercial specification.

The material may be suitable when a project requires an aryl boronic acid containing a pentyl substituent. It may be less suitable when the reaction requires a different substitution pattern, a highly water-soluble boronic acid, or a validated manufacturing-grade raw material with regulatory documentation beyond standard research-chemical support.

Basic Chemical Context

Structure and Functional Role

4-Pentylbenzeneboronic acid contains an aromatic ring bearing two key substituents: a boronic acid group and a pentyl group in the para position. The boronic acid functionality is the reactive site most relevant to synthetic use, while the pentyl chain changes the molecule’s hydrophobic character compared with unsubstituted phenylboronic acid. This combination can be valuable for preparing more lipophilic analogues and functional aromatic building blocks.

In a typical Suzuki–Miyaura coupling concept, the aryl boronic acid is reacted with an appropriate aryl or vinyl halide or related coupling partner in the presence of a suitable catalyst, base, solvent system, and controlled reaction conditions. The exact reaction outcome depends on the coupling partner, catalyst system, substrate concentration, temperature, and work-up method. I therefore recommend treating published reaction conditions as starting points rather than guaranteed operating instructions for every batch or substrate.

Reference Identity Data

The formula and calculated molecular weight are identity references, not substitutes for batch testing. A commercial sample may contain a measured amount of water, residual solvent, or related impurities that affect the effective mass required for a reaction. For accurate use, I suggest calculating the corrected charge from the assay reported on the certificate of analysis.

Applications and Application Matching

Synthetic and Medicinal Chemistry

The most direct application is use as a building block in carbon–carbon bond-forming reactions. Researchers can evaluate it for coupling with suitable halogenated aromatic, heteroaromatic, or vinyl substrates when they want to introduce a para-pentylphenyl fragment. The resulting products may be used for analogue preparation, structure–activity relationship studies, or broader research into hydrophobic aromatic compounds.

Its value is project-dependent rather than universal. A chemist should assess whether the pentyl chain supports the target molecule’s intended physicochemical profile and whether the boronic acid survives the planned storage and reaction workflow. Early microscale screening is a sensible way to compare catalyst, base, solvent, and temperature combinations before committing to a larger purchase.

Materials and Functional Molecule Research

Organic boronic acids can also serve as intermediates in the preparation of functional molecules for materials or molecular recognition research. In this context, the pentyl substituent may be selected to modify hydrophobicity, flexible-chain content, or intermolecular interactions in the final structure. These effects should be evaluated in the final molecule, because the behavior of the intermediate alone does not predict the performance of the finished material.

Types, Material Options, and Specifications

When comparing offers, the main material options are normally defined by quantity, assay target, packaging, and documentation rather than by different chemical grades with identical performance. A buyer may require a small research quantity, a larger development quantity, or a repeatable supply arrangement for ongoing synthesis. I recommend specifying whether the requirement is for exploratory research, process development, or a controlled internal manufacturing step.

Maison Chemical Product Page

• Identity: Confirm the product name, CAS number, molecular formula, and analytical identification method.
• Assay: Request the supplier’s reported assay method and acceptance range rather than relying only on a catalog description.
• Impurity profile: Ask whether relevant regioisomers, unreacted starting materials, residual solvents, and inorganic residues are monitored.
• Physical form: Confirm the reported appearance and whether the material is supplied as a solid or another documented form.
• Packaging: Match the container size to expected consumption and minimize repeated exposure to air and moisture.
• Documents: Obtain the SDS, certificate of analysis, specification sheet, and any available analytical data required by your internal quality system.

Appearance alone should not be treated as proof of identity or purity. Boronic acids may require careful protection from unsuitable environmental conditions, and the correct storage method depends on the supplier’s validated instructions. If a project is sensitive to moisture or oxidation-related changes, the buyer should request additional handling guidance before shipment.

Buyer Selection Framework

1. Define the Intended Use

Start by describing the target reaction or downstream application. Include the approximate annual demand, expected batch size, required assay, acceptable impurity limits, and whether the material will be used only for discovery research or in a regulated development workflow. This information helps a supplier recommend an appropriate package size and documentation level.

2. Review Technical Documentation

Compare supplier documents using the same criteria for every quotation. The most useful review normally includes lot-specific assay data, analytical identification, water or residual solvent information when relevant, storage instructions, shelf-life guidance, and traceability details. If a supplier cannot confirm a key specification, I recommend treating that uncertainty as a sourcing risk rather than assuming the material is equivalent.

3. Check Commercial Fit

Price should be evaluated together with minimum order quantity, production status, lead time, packaging, shipping requirements, and the cost of requalification. A low unit price may not be economical if the required quantity is much larger than the project’s actual consumption. Conversely, a small package may be convenient for screening but unsuitable for a repeat process that requires consistent lot availability.

Handling, Storage, and Common Mistakes

Handling should follow the current SDS and the laboratory’s chemical hygiene procedures. Buyers should avoid transferring the material into unlabelled containers, exposing it unnecessarily during repeated sampling, or storing it under conditions that differ from the supplier’s instructions. The correct storage temperature and packaging configuration should be confirmed for the specific lot rather than inferred from another boronic acid.

A common mistake is selecting a product only by name while overlooking the para substitution pattern and CAS number. Another is charging a reaction using the nominal mass without considering assay or water content. A third is requesting a quotation without stating the required documents, which can create delays when the material reaches technical or quality review.

Maison Chemical Supplier Support

At Maison Chemical, I support buyers by treating product selection as a technical and supply discussion rather than a simple catalog transaction. For 4-Pentylbenzeneboronic acid, our quotation process can be organized around the requested CAS number, quantity, assay expectation, packaging preference, destination, and documentation requirements. This allows the commercial offer to reflect the actual project rather than an unspecified default.

We can also help coordinate routine information such as product specifications, SDS documentation, certificate of analysis availability, packaging options, and estimated lead time. Any final specification, stock position, or delivery schedule should be confirmed in the quotation because availability can vary by batch and order volume. For development programs, I recommend discussing repeat supply requirements early so that future lots can be reviewed against the same agreed criteria.

Key Takeaways

• 4-Pentylbenzeneboronic acid is an aryl boronic acid building block identified by CAS 121219-12-3.
• Its reference formula is C₁₁H₁₇BO₂, with a calculated molecular weight of approximately 192.07 g/mol.
• Its principal value is as a synthetic intermediate for suitable cross-coupling and related research chemistry.
• Identity, assay, impurity information, moisture data, packaging, storage, and documentation should be reviewed before purchase.
• Supplier suitability depends on both technical evidence and commercial factors such as MOQ, lead time, and repeat-lot support.

Conclusion and Next Steps

4-Pentylbenzeneboronic acid CAS 121219-12-3 can be a practical choice when a synthesis requires a para-pentyl-substituted aryl boronic acid. The best purchasing decision depends on matching the material’s documented identity and quality to the intended reaction, rather than selecting solely by price or availability. Its suitability should be confirmed through technical review and, where appropriate, a small-scale reaction evaluation.

For the next step, prepare your required quantity, assay target, packaging size, destination, application, and documentation checklist. Send these details to Maison Chemical for a focused quotation and supplier review. We can then help you assess the appropriate supply option for research, development, or repeat organic synthesis requirements.

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