1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester
1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester (CAS: 844891-04-9) is an organoboron compound with a molecular weight of 236.12 g/mol. This heteroaryl boronate ester serves as a valuable building block in organic synthesis, particularly in cross-coupling reactions. Its structure, featuring a pyrazole core functionalised with a boronic acid pinacol ester group, makes it useful for introducing substituted pyrazole moieties into complex molecules, finding applications in medicinal chemistry and materials science.
- IUPAC
- 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,2-(1,3,5-Trimethylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Synonyms
- 844891-04-9C12H21BN2O21,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole2-(1,3,5-Trimethylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Suzuki-Miyaura Cross-Coupling Reactions
This compound is an effective coupling partner in Suzuki-Miyaura reactions, enabling the formation of carbon-carbon bonds by linking the pyrazole core to various organic halides or pseudohalides.
Medicinal Chemistry Intermediate
As a functionalised pyrazole derivative, it is employed in the synthesis of novel pharmaceutical candidates, contributing to drug discovery efforts where pyrazole motifs are often found.
Materials Science
The unique electronic and structural properties of pyrazole-containing compounds make this boronate ester a potential precursor for advanced materials with tailored optical or electronic characteristics.
Organic Synthesis Reagent
It serves as a versatile reagent for introducing the 1,3,5-trimethyl-1H-pyrazole-4-yl group into target molecules, facilitating the construction of complex organic structures.
| Molecular weight | 236.12 |
|---|---|
| Empirical formula | C12H21BN2O2 |
| Assay | 97% |
| Melting point | 97-101 °C |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 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 1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester used for?
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This compound is primarily used as a building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, and as an intermediate in medicinal chemistry and materials science for introducing pyrazole moieties.
What is the CAS number and formula for 1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester?
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The CAS number is 844891-04-9 and the empirical formula is C12H21BN2O2.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this product at an assay of 97%. We do not represent this product as USP, BP, EP, or other pharmacopoeial grades.
How should 1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester be handled?
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Based on hazard statements H315, H319, and H335, this compound may cause skin irritation, serious eye irritation, and respiratory irritation. Handle with appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves. Ensure adequate ventilation.
How is this chemical packed and shipped by TSS?
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Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals and laboratory reagents.
How can I request a sample or quote?
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Please contact the Tech Serve Solutions sales team or use the online portal to request a sample or a quote for 1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester.
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