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1,5-Dimethyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrrole-2-Carbonitrile CAS NO 863868-51-3
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CAS No.:863868-51-3
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile is a high-value, multi-functional boronic ester building block essential for modern synthetic chemistry. Its core value lies in enabling efficient cross-coupling reactions, particularly the Suzuki-Miyaura reaction, to construct complex molecular architectures. This compound is critically needed by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors for the development of novel active ingredients and functional molecules.
Application
- Pharmaceutical Intermediate: A key synthon for constructing heterocyclic cores in drug discovery programs, particularly for kinase inhibitors and other small molecule therapeutics.
- Agrochemical Synthesis: Used in the research and development of new active ingredients for crop protection products, leveraging its boronic ester functionality for structural diversification.
- Material Science Research: Serves as a precursor for organic electronic materials, such as those used in OLEDs and organic photovoltaics, due to its conjugated pyrrole system.
- Chemical Biology Probes: Employed in the synthesis of tagged molecules and bioconjugates for studying biological processes and target engagement.
- Academic & R&D Laboratories: A versatile reagent for methodological development in organic synthesis and catalysis studies within university and industrial research settings.
- Ligand and Catalyst Development: Acts as a building block for creating novel bidentate or polydentate ligands used in transition metal catalysis.
Basic Information
| Product Name | 1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile |
| CAS No. | 863868-51-3 |
| Molecular Formula | C13H19BN2O2 |
| Molecular Weight | 246.12 g/mol |
| Synonyms | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile; 1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile; 1,5-Dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile; 2-Cyano-1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole; 863868-51-3; Boronic acid, B-[2-cyano-1,5-dimethyl-1H-pyrrol-4-yl]-, 1,3,2-dioxaborolane ester |
| EINECS | Contact for details |
Quality Control
Our 1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR, HPLC, and GC, to ensure high purity and batch-to-batch consistency suitable for demanding R&D and scale-up applications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, it is recommended to store the product under an inert atmosphere (e.g., nitrogen or argon) and handle it in a controlled, low-humidity environment to maintain stability and purity. Recommended long-term storage temperature is 2-8°C.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | 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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