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2-Chloro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile CAS NO 548797-51-9


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CAS No.:548797-51-9

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

2-Chloro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile is a high-value, multi-functional boronic ester derivative, serving as a critical synthetic intermediate in modern organic chemistry. Its core value lies in enabling efficient carbon-carbon bond formation via the Suzuki-Miyaura cross-coupling reaction, a cornerstone methodology for constructing complex molecular architectures. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors, where it is used to develop novel active ingredients and functional organic compounds.

Application

  • Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs) and drug candidates, particularly in medicinal chemistry for structure-activity relationship (SAR) studies.
  • Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides, leveraging the chlorobenzonitrile moiety for biological activity.
  • Material Science & OLED Development: Serves as a precursor for creating organic light-emitting diode (OLED) materials, liquid crystals, and other advanced functional polymers.
  • Cross-Coupling Reactions: Primarily employed in palladium-catalyzed Suzuki-Miyaura cross-coupling to introduce the 2-chloro-4-cyanophenyl fragment into target molecules.
  • Chemical Research & Development: A versatile reagent in academic and industrial R&D labs for exploring new synthetic pathways and creating complex boronic acid derivatives.
  • Ligand & Catalyst Preparation: Can be utilized in the synthesis of specialized ligands for catalysis or as a component in metal-organic frameworks (MOFs).

Basic Information

Product Name 2-Chloro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile
CAS No. 548797-51-9
Molecular Formula C13H15BClNO2
Molecular Weight 263.53 g/mol
Synonyms 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; (2-Chloro-4-cyanophenyl)boronic acid pinacol ester; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-chlorobenzonitrile; 2-Chloro-4-cyanophenylboronic acid pinacol ester; 2-Chloro-4-(pinacolatoboron)benzonitrile; Pinacol (2-Chloro-4-cyanophenyl)boronate; 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile
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Quality Control

Every batch of 2-Chloro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile is manufactured under strict quality management systems. We employ advanced analytical techniques including HPLC, NMR, and GC-MS to ensure high purity and batch-to-batch consistency, meeting the stringent requirements of research and production applications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each 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) for long-term preservation and to minimize moisture uptake. Recommended storage temperature is 2-8°C for optimal 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%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.

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