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Potassium benzofuran-2-trifluoroborate

Also known as potassium 1-benzofuran-2-yl(trifluoro)boranuide, POTASSIUM BENZOFURAN-2-YLTRIFLUOROBORATE, potassium 1-benzofuran-2-yltrifluoroboranuide, Potassium benzofuranyl-2-trifluoroborate

Potassium benzofuran-2-trifluoroborate is a benzofuran-containing organotrifluoroborate with the molecular formula C8H5BF3KO and molecular weight 224.03. It serves as a specialised heteroaryl building block for research involving carbon–carbon bond formation and benzofuran chemistry.

Organoboron Compounds Heteroaryl Trifluoroborate Salts

Product identity

CAS number
929626-27-7
Molecular formula
C8H5BF3KO
Molecular weight
224.03 g/mol
Category
Organoboron Compounds
Subcategory
Heteroaryl Trifluoroborate Salts
Common aliases
potassium 1-benzofuran-2-yl(trifluoro)boranuide, POTASSIUM BENZOFURAN-2-YLTRIFLUOROBORATE, potassium 1-benzofuran-2-yltrifluoroboranuide

Product overview

What is Potassium benzofuran-2-trifluoroborate?

Potassium benzofuran-2-trifluoroborate is an organoboron compound and heteroaryl trifluoroborate salt. Its CAS number is 929626-27-7, and its IUPAC name is potassium 1-benzofuran-2-yl(trifluoro)boranuide. The molecular formula is C8H5BF3KO, with a stated molecular weight of 224.03. The structure combines a benzofuran-derived heteroaryl group with a trifluoroborate anion and potassium counterion.

As an ionic organoboron reagent, this material is expected to behave differently from neutral arylboronic acids and many boronate esters. Its charged form can influence solubility, handling, reaction setup and purification choices. Behaviour may also depend on solvent, water exposure, temperature, reaction partners and the selected grade. It should therefore be evaluated under the specific conditions used for each synthetic procedure.

The compound is established in the context of organic synthesis involving benzofuran-containing molecular frameworks. Heteroaryl trifluoroborate salts are commonly considered useful partners for carbon–carbon bond-forming chemistry, including transformations selected by the chemist and reaction system. This broad context supports use in discovery research, intermediate preparation and method development, but does not establish suitability for any particular product or process.

Selection should begin with the intended transformation, substrate compatibility, solvent system, catalyst or promoter requirements and work-up strategy. Buyers should also consider identity confirmation, impurity limits, moisture sensitivity and handling practices defined for their laboratory or plant. A particular grade may be suitable for one procedure and unsuitable for another, so application decisions should follow internal technical assessment and documented experimental results. For commercial selection, the compound name should be considered separately from the specification and supplied form required for the intended process.

Technical profile

Product properties

Review the product identity and general physical profile before specifying the grade required for your operation.

IUPAC name
potassium 1-benzofuran-2-yl(trifluoro)boranuide
Category
Organoboron Compounds
Subcategory
Heteroaryl Trifluoroborate Salts
Molecular formula
C8H5BF3KO
Molecular weight
224.03 g/mol

Uses and markets

Applications and industries

The correct product specification depends on the intended process, grade requirements and operating conditions.

Detailed product information

Detailed Potassium benzofuran-2-trifluoroborate product information

Molecular Identity and Structural Class

Potassium benzofuran-2-trifluoroborate belongs to the organoboron compound family and is more specifically classified as a heteroaryl trifluoroborate salt. The benzofuran fragment provides a fused oxygen-containing aromatic framework, while the trifluoroborate group and potassium counterion define its salt form. This combination makes the material relevant to synthetic planning where a benzofuran-derived organoboron fragment is required.

The stated molecular formula is C8H5BF3KO, and the molecular weight is 224.03. The supplied CAS number is 929626-27-7. Alternative names include potassium 1-benzofuran-2-yltrifluoroboranuide and potassium benzofuranyl-2-trifluoroborate. These identifiers assist technical communication, although the intended reaction and the complete specification remain important when selecting material for a particular procedure.

Reaction Planning and Synthetic Context

Heteroaryl trifluoroborate salts are commonly considered in synthetic chemistry as transferable organoboron partners. Their use can support the construction of substituted aromatic and heteroaromatic molecules through reaction systems selected by the chemist. Potassium benzofuran-2-trifluoroborate may therefore be relevant to discovery chemistry, medicinal chemistry research and preparation of benzofuran-containing intermediates.

Reaction performance is not determined by the name of the reagent alone. Catalyst choice, base, solvent, temperature, atmosphere, substrate structure and work-up can all influence conversion and selectivity. A procedure developed for another trifluoroborate or boron reagent may require adjustment. Suitability should be established experimentally, with attention to reaction monitoring and isolation of the desired product.

Handling and Laboratory Evaluation

For Potassium benzofuran-2-trifluoroborate, this salt should be handled according to the risk assessment, operating procedures and protective measures established by the responsible laboratory or facility. Avoid uncontrolled exposure, contamination and unnecessary contact with moisture or incompatible materials. The correct approach depends on the scale, process design, equipment and other substances present during use.

Before implementation, users commonly review the intended reaction, storage conditions, weighing method, dissolution behaviour and waste route. Small-scale trials can help establish whether the material behaves as expected in the selected solvent and reaction system. Analytical checks may then be used to follow starting-material consumption, product formation and potentially relevant by-products.

Selection for Research and Manufacturing Work

For Potassium benzofuran-2-trifluoroborate, the material may suit projects requiring a defined benzofuran-derived organoboron input, including route development and intermediate synthesis. Selection should be linked to the actual process rather than to a general assumption that all organoboron salts are interchangeable. Differences in structure, counterion, water content, impurity profile and physical form can affect practical performance.

For manufacturing or scale-up, technical teams may additionally assess charging behaviour, mixing, reaction calorimetry, isolation, residual materials and waste treatment. A laboratory result does not automatically predict plant performance. The final decision should combine the intended chemistry with the organization’s quality requirements, process controls and applicable workplace practices for the operating jurisdiction.

Frequently asked questions

Questions about Potassium benzofuran-2-trifluoroborate

Why does material specification matter when evaluating Potassium benzofuran-2-trifluoroborate?

Chemical identity confirms that the material is Potassium benzofuran-2-trifluoroborate, but it does not by itself define purity, physical form, concentration, test methods or suitability for a particular process. Those details belong to the current supplier specification and related documentation. Technical and purchasing teams should compare that information with the intended formulation, operating conditions and internal approval criteria before use. If the supplier, grade, process or end-use requirement changes, the earlier assessment may no longer apply. Keeping identity and specification separate helps prevent similarly named or differently supplied materials from being treated as automatically interchangeable. It also creates a clearer record for receiving, quality review and later change control.

How is this compound commonly used in organic synthesis?

The compound is commonly considered a benzofuran-derived organoboron building block for selected carbon–carbon bond-forming reactions. In a suitable reaction system, the organoboron fragment may participate in a transformation that connects the benzofuran unit with another molecular partner. The exact chemistry depends on the catalyst or promoter, base, solvent, temperature, substrate and work-up method. Researchers may use it during route scouting, intermediate preparation, discovery chemistry or method development. A reaction reported for a different trifluoroborate should be treated as a starting point rather than a guarantee. Experimental screening is needed to establish conversion, selectivity, isolation and compatibility for the intended substrate.

What factors can affect its reaction performance?

Reaction performance can be influenced by several interacting factors. Substrate electronics and steric effects may affect how readily the desired transformation proceeds, while catalyst selection, ligand system, base, solvent, temperature and atmosphere can alter conversion and selectivity. Water exposure, mixing and the order of addition may also matter in some procedures. The concentration and physical handling of the salt can influence charging and dissolution behaviour. Reaction monitoring is useful because apparent starting-material disappearance does not always demonstrate clean product formation. Users should assess the complete reaction system, including work-up and purification, rather than judging suitability from the reagent identity alone.

Is a trifluoroborate salt interchangeable with a boronic acid or boronate ester?

No. These reagent classes can sometimes serve related synthetic roles, but they are not automatically interchangeable. A trifluoroborate salt has a different ionic structure, counterion, solubility profile and response to reaction conditions than a neutral boronic acid or boronate ester. Differences may affect weighing, dissolution, activation, reaction rate, selectivity, purification and waste handling. A published method using another boron reagent may require changes to the base, solvent, temperature or catalyst system. Researchers should compare the intended transformation and conduct appropriate small-scale experiments before substituting one reagent class for another in a developed route.

What should researchers consider before scaling a reaction using this material?

Before scale-up, researchers should confirm that the selected reaction is reproducible and that the material performs acceptably at the proposed concentration and charging method. They may evaluate mixing, dissolution, addition rate, temperature control, gas evolution if relevant, reaction calorimetry, impurity formation, quench behaviour and isolation. The effect of scale on heat and mass transfer can change outcomes observed in a small vessel. Teams should also review exposure controls, waste treatment, equipment compatibility and analytical monitoring. A successful laboratory experiment is informative but does not by itself establish safe, reliable or economical manufacturing performance.

How should its identity and composition be communicated in technical work?

Technical documents should use the canonical name, the supplied CAS number, the molecular formula and the stated molecular weight together with the intended application or reaction context. Potassium benzofuran-2-trifluoroborate is also known by names such as potassium 1-benzofuran-2-yl(trifluoro)boranuide and potassium benzofuranyl-2-trifluoroborate. Consistent naming helps distinguish this salt from related benzofuran compounds and other organoboron reagents. For experimental work, identity communication should be accompanied by the applicable material specification, analytical records and handling instructions used by the responsible organization. Those details are important because nominal identity alone does not define every practical characteristic of a particular material.

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