Description

2-(3-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane is a versatile organoboron reagent, specifically a cyclic boronic ester, valued for its stability and reactivity in advanced synthetic transformations. This compound is a critical building block for the pharmaceutical and agrochemical industries, enabling the formation of carbon-carbon bonds under mild conditions. It is primarily sought after by research chemists and process development scientists for applications in cross-coupling reactions, such as the Suzuki-Miyaura reaction, to create complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for compounds containing biaryl or heterobiaryl motifs.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides that require specific phenyl-substituted structures.
• Material Science Research: Serves as a monomer or functionalization agent in the development of organic electronic materials, including polymers for OLEDs and OFETs.
• Suzuki-Miyaura Cross-Coupling: The primary application is as a stable boronic ester partner in palladium-catalyzed cross-coupling reactions with organic halides.
• Chemical Biology & Medicinal Chemistry: Employed in the synthesis of molecular probes, diagnostic agents, and candidate drug molecules during hit-to-lead optimization.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds on a commercial scale.

Basic Information

Product Name	2-(3-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CAS No.	214360-45-9
Molecular Formula	C13H16BNO2
Molecular Weight	229.08 g/mol
Synonyms	(3-Cyanophenyl)boronic acid neopentyl glycol ester; 2-(3-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane; 3-Cyanophenylboronic acid neopentyl glycol ester; 3-Cyanophenylboronic acid pinacol ester (common misnomer, structurally related); (3-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (isomeric pinacol boronate); 3-Cyanobenzeneboronic acid cyclic neopentyl ester; B-(3-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
EINECS	Contact for details

Quality Control

Our 2-(3-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. We employ advanced analytical techniques, including HPLC, GC, and NMR, to verify identity and quantify impurities. Certificates of Analysis (COA) detailing purity, assay, and impurity profiles are provided with each shipment and are available upon request.

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 sealed under an inert atmosphere (argon or nitrogen) after opening to prevent hydrolysis and maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥97.0%
Purity (GC)	≥96.0%
Water Content (KF)	≤0.5%

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