Description

Benzonitrile, 3-[[4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenoxy]Methyl]- is a high-value, multifunctional organic building block that combines a benzonitrile core with a pinacol boronate ester group. This compound matters for its role as a key intermediate in modern synthetic chemistry, enabling efficient carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions. Pharmaceutical, agrochemical, and advanced materials researchers need it for the development of novel active ingredients and functional polymers. Its specific structure offers precise control over molecular architecture in complex synthesis.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly for constructing biaryl and heterobiaryl scaffolds.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides requiring specific aromatic frameworks.
• Material Science & OLED Development: Serves as a building block 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 form new carbon-carbon bonds with high efficiency and selectivity.
• Chemical Research & Process Development: Utilized in academic and industrial R&D for method development, library synthesis, and exploring new chemical spaces.
• Ligand and Catalyst Synthesis: Acts as a precursor for synthesizing specialized ligands and organometallic catalysts used in asymmetric synthesis.

Basic Information

Product Name	Benzonitrile, 3-[[4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenoxy]Methyl]-
CAS No.	1813554-44-7
Molecular Formula	C20H22BNO3
Molecular Weight	335.21 g/mol
Synonyms	3-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)benzonitrile; (3-Cyanophenyl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol (tautomer); 3-[[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]benzonitrile; 3-[(4-(Pinacolatoboryl)phenoxy)methyl]benzonitrile; 3-(4-Pinacolatoboranephenoxymethyl)benzonitrile; Boronic acid, B-[4-[(3-cyanophenyl)methoxy]phenyl]-, pinacol ester
EINECS	Contact for details

Quality Control

Our Benzonitrile, 3-[[4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenoxy]Methyl]- is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR (¹H and ¹³C), and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment aligns with the standards required for GMP intermediates and research-grade chemicals.

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 (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

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.