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3-Methyl-1-Propyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole CAS NO 847818-80-8
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CAS No.:847818-80-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
3-Methyl-1-Propyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole is a high-value, functionalized pyrazole boronic ester derivative that serves as a critical building block in modern synthetic chemistry. Its primary value lies in its role as a versatile coupling partner in Suzuki-Miyaura cross-coupling reactions, enabling the efficient construction of complex heterocyclic scaffolds. This compound is essential for research and development chemists in the pharmaceutical, agrochemical, and advanced materials sectors who require reliable, high-purity intermediates for drug discovery and specialty chemical synthesis.
Application
- Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those containing pyrazole or complex aryl-heterocycle motifs.
- Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides that require specific heterocyclic structures for bioactivity.
- Material Science Research: Employed in the development of organic electronic materials, such as organic light-emitting diodes (OLEDs) and semiconductors, where precise molecular architecture is crucial.
- Suzuki-Miyaura Cross-Coupling: Acts as a stable, air-handleable boronate ester reagent for palladium-catalyzed carbon-carbon bond formation with various aryl/heteroaryl halides.
- Chemical Biology & Probe Development: Utilized to create tagged molecules and bioconjugates for studying biological processes and target engagement.
- Catalyst & Ligand Development: Serves as a precursor for synthesizing novel N-heterocyclic carbene (NHC) ligands or metal-organic frameworks (MOFs).
Basic Information
| Item | Details |
|---|---|
| Product Name | 3-Methyl-1-Propyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole |
| CAS No. | 847818-80-8 |
| Molecular Formula | C13H23BN2O2 |
| Molecular Weight | 250.15 g/mol |
| Synonyms | 1-Propyl-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 3-Methyl-1-propyl-1H-pyrazole-5-boronic acid pinacol ester; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-methyl-1-propyl-1H-pyrazole; 1H-Pyrazole-5-boronic acid, 3-methyl-1-propyl-, pinacol ester; Pyrazole boronic ester, 3-methyl-1-propyl-; 847818-80-8; (3-Methyl-1-propyl-1H-pyrazol-5-yl)boronic acid pinacol ester |
| EINECS | Contact for details |
Quality Control
Our 3-Methyl-1-Propyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. Each lot undergoes rigorous analytical testing, including HPLC, NMR (1H, 13C, 11B), and mass spectrometry, to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance and regulatory documentation needs.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder or solid |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥97.0% (Area %) |
| Water Content (KF) | ≤0.5% |
| Residue on Ignition | ≤0.1% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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