1-Isobutylpyrazole-4-boronic acid pinacol ester
1-Isobutylpyrazole-4-boronic acid pinacol ester (CAS 827614-66-4) is a pyrazole derivative with the molecular formula C13H23BN2O2 and a molecular weight of 250.14 g/mol. This organometallic reagent is commonly employed in organic synthesis, particularly in cross-coupling reactions. Its structure features a pyrazole ring functionalised with an isobutyl group and a boronic acid pinacol ester moiety, making it a valuable building block for constructing complex molecular architectures in pharmaceutical and materials science research.
- IUPAC
- 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,1-Isobutyl-pyrazole-4-boronic acid pinacol ester
- Synonyms
- 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Suzuki-Miyaura Cross-Coupling Reactions
This boronate ester serves as a key coupling partner in Suzuki-Miyaura reactions, enabling the formation of new carbon-carbon bonds. It is instrumental in synthesising substituted pyrazoles, which are prevalent motifs in medicinal chemistry.
Organic Synthesis Building Block
The compound acts as a versatile synthon for introducing the isobutylpyrazole moiety into various organic molecules. Its reactive boronate ester group facilitates regioselective functionalisation.
Medicinal Chemistry Research
Researchers utilise 1-Isobutylpyrazole-4-boronic acid pinacol ester to synthesise novel drug candidates and explore structure-activity relationships in pharmaceutical development. Pyrazole-containing compounds often exhibit significant biological activities.
Materials Science
The unique electronic and structural properties of pyrazole derivatives make them candidates for applications in materials science, such as organic light-emitting diodes (OLEDs) or functional polymers. This boronate ester can be used to build such complex materials.
| Molecular weight | 250.14 |
|---|---|
| Empirical formula | C13H23BN2O2 |
| Assay | 95% |
| Boiling point | 248-249 °C(lit.) |
| Density | 1.003 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.4740(lit.) |
Hazard statements
- H226Flammable liquid and vapour
- H315Causes skin irritation
- H319Causes serious eye irritation
Precautionary statements
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Flash point | 47 °C / 116.6 °F |
| Transport (UN / ADR) | UN 1993C 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 10-36/38 |
| Safety statements (S) | 16-26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 1-Isobutylpyrazole-4-boronic acid pinacol ester used for?
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1-Isobutylpyrazole-4-boronic acid pinacol ester (CAS 827614-66-4) is primarily used as a building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, and in medicinal chemistry research for developing new pharmaceutical agents.
What is the CAS number and chemical formula for 1-Isobutylpyrazole-4-boronic acid pinacol ester?
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The CAS number is 827614-66-4, and the chemical formula is C13H23BN2O2.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1-Isobutylpyrazole-4-boronic acid pinacol ester with an assay of 95%. This product is suitable for research and synthesis purposes and is not represented as USP, EP, BP, or any other pharmacopoeia grade.
How should 1-Isobutylpyrazole-4-boronic acid pinacol ester be handled safely?
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This compound is flammable and causes skin and eye irritation. Handle with appropriate personal protective equipment, including a dust mask (type N95 US), eyeshields, and gloves. Ensure good ventilation and avoid open flames. Refer to the Safety Data Sheet for comprehensive handling instructions.
Is this chemical a controlled substance?
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Based on the provided data, 1-Isobutylpyrazole-4-boronic acid pinacol ester is not listed as a controlled substance.
How is this product packed, shipped, and exported?
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Tech Serve Solutions packs and ships chemicals according to international regulations for hazardous materials, ensuring safe transit for export. For 1-Isobutylpyrazole-4-boronic acid pinacol ester, it is classified under UN 1993, Class 3, Packing Group III.
How can I request a sample or a quote?
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To request a sample or a quote for 1-Isobutylpyrazole-4-boronic acid pinacol ester, please contact our sales team through the website or by phone, providing your contact details and the quantity required.
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