Description

(3-Isocyanato)Benzeneboronic Acid, Pinacol Ester is a versatile bifunctional organoboron building block that combines an isocyanate group with a protected boronic acid moiety. This unique structure makes it a critical intermediate for the synthesis of complex molecules, particularly in pharmaceutical research and advanced material science. It is primarily used by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and polymer industries for constructing novel compounds via Suzuki-Miyaura cross-coupling and urea/urethane formation.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs) and drug candidates, especially those requiring boron-containing motifs or urea linkages.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides that incorporate boronic ester functionalities.
• Polymer & Material Science: Serves as a monomer or cross-linking agent for creating specialty polymers, resins, and advanced materials with tailored properties.
• Bioconjugation & Probe Development: Utilized in the design of chemical probes, sensors, and bioconjugates for diagnostic and research applications.
• Suzuki-Miyaura Cross-Coupling: The pinacol-protected boronic ester group enables efficient palladium-catalyzed cross-coupling reactions with various aryl/vinyl halides.
• Combinatorial Chemistry: A valuable scaffold in library synthesis for high-throughput screening in drug discovery programs.

Basic Information

Product Name	(3-Isocyanato)Benzeneboronic Acid, Pinacol Ester
CAS No.	787591-43-9
Molecular Formula	C₁₃H₁₆BNO₃
Molecular Weight	245.09 g/mol
Synonyms	3-Isocyanatophenylboronic Acid Pinacol Ester; 1-Isocyanato-3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene; (3-Isocyanatophenyl)boronic Acid Pinacol Ester; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl Isocyanate; 2-(3-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; m-Isocyanatophenylboronic Acid Pinacol Ester
EINECS	Contact for details

Quality Control

Our (3-Isocyanato)Benzeneboronic Acid, Pinacol Ester is manufactured under strict quality control protocols to ensure high purity and batch-to-batch consistency suitable for research and development. Each batch is analyzed using advanced techniques including HPLC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its moisture-sensitive (hygroscopic) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	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.