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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
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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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