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1-[(Tetrahydro-2H-Pyran-2-Yl)Methyl]-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole CAS NO 1000802-49-2
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CAS No.:1000802-49-2
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
1-[(Tetrahydro-2H-Pyran-2-Yl)Methyl]-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole is a high-value, multi-functional heterocyclic building block featuring a protected pyrazole core and a pinacol boronate ester group. This compound is essential for facilitating Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology in modern synthetic chemistry for constructing complex molecules. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors to introduce the pyrazole moiety into target structures, enabling the discovery and production of novel active ingredients.
Application
- Pharmaceutical Intermediate: A key synthon for the synthesis of active pharmaceutical ingredients (APIs) containing pyrazole heterocycles, which are prevalent in drugs targeting inflammation, cancer, and metabolic disorders.
- Agrochemical Research: Used in constructing novel herbicide, fungicide, and insecticide candidates by incorporating the pyrazole scaffold into lead compounds.
- Material Science: Serves as a building block for creating functional organic materials, such as ligands for catalysts or components in organic electronics, via its reactive boronate handle.
- Medicinal Chemistry & Drug Discovery: Enables rapid parallel synthesis and library generation for structure-activity relationship (SAR) studies in early-stage drug discovery programs.
- Chemical Biology Probe Development: Utilized to create tagged or modified molecules for studying biological pathways and protein interactions.
- Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis organizations (CSOs) and CDMOs producing specialized, high-value compounds for clients.
Basic Information
| Item | Details |
|---|---|
| Product Name | 1-[(Tetrahydro-2H-Pyran-2-Yl)Methyl]-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole |
| CAS No. | 1000802-49-2 |
| Molecular Formula | C15H25BN2O3 |
| Molecular Weight | 292.19 g/mol |
| Synonyms | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[(tetrahydro-2H-pyran-2-yl)methyl]-1H-pyrazole; 1-(THP-Methyl)-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)-1H-Pyrazole; 1-((Tetrahydro-2H-pyran-2-yl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; Pyrazole boronic acid pinacol ester, THP-protected; 1H-Pyrazole, 1-[(tetrahydro-2H-pyran-2-yl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| EINECS | Contact for details |
Quality Control
Our production of 1-[(Tetrahydro-2H-Pyran-2-Yl)Methyl]-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole adheres to stringent quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all critical quality attributes are provided and can be tailored to meet specific client or regulatory requirements.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when appropriate to prevent degradation and ensure long-term stability.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 97.0% |
| 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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