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2-(4,4-Difluorocyclohex-1-En-1-Yl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane CAS NO 1227068-84-9
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CAS No.:1227068-84-9
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2-(4,4-Difluorocyclohex-1-En-1-Yl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane is a high-value organoboron building block, specifically a cyclic boronic ester, widely used in modern synthetic chemistry. Its core value lies in enabling efficient carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology for constructing complex molecules. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials industries, where it serves as a key intermediate for introducing the difluorocyclohexenyl moiety into target structures.
Application
- Pharmaceutical Intermediate: Critical for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those requiring fluorinated cyclohexyl groups to modulate bioavailability and metabolic stability.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the difluorocyclohexene unit can enhance biological activity.
- Material Science Research: Employed in the creation of specialty polymers, liquid crystals, and organic electronic materials that benefit from fluorinated aromatic/cyclic structures.
- Cross-Coupling Reactions: Serves as a versatile coupling partner in palladium-catalyzed Suzuki-Miyaura reactions to create biaryl and other complex carbon scaffolds.
- Medicinal Chemistry: A valuable scaffold for constructing compound libraries in high-throughput screening and structure-activity relationship (SAR) studies.
- Chemical Biology Probes: Used to synthesize labeled compounds or probes for studying biological mechanisms and target engagement.
Basic Information
| Product Name | 2-(4,4-Difluorocyclohex-1-En-1-Yl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane |
| CAS No. | 1227068-84-9 |
| Molecular Formula | C₁₂H₁₉BF₂O₂ |
| Molecular Weight | 244.09 g/mol |
| Synonyms | 4,4-Difluoro-1-cyclohexene-1-boronic acid pinacol ester; (4,4-Difluorocyclohex-1-en-1-yl)boronic acid pinacol ester; 2-(4,4-Difluorocyclohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4,4-Difluorocyclohex-1-en-1-ylboronic Acid Pinacol Ester; 4,4-Difluoro-1-cyclohexenylboronic Acid Pinacol Ester; Pinacol (4,4-Difluorocyclohex-1-en-1-yl)boronate; 1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4,4-difluorocyclohex-1-ene |
| EINECS | Contact for details |
Quality Control
Our 2-(4,4-Difluorocyclohex-1-En-1-Yl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including NMR (¹H, ¹³C, ¹⁹F, ¹¹B), HPLC, and GC analysis, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment to support your quality assurance and regulatory 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 nature, the container must be kept tightly sealed under an inert atmosphere (argon or nitrogen) to prevent moisture absorption and decomposition.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline solid or powder |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC/GC) | ≥95% (Typical 97-99%) |
| Water Content (KF) | ≤0.5% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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