Description

(4-Isocyanatophenyl)Boronic Acid, Pinacol Ester is a specialized 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 materials 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 subsequent isocyanate-based derivatizations.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, especially those requiring biaryl linkages and functional handles for conjugation.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides that incorporate aryl-boronate and urethane/urea functionalities.
• Polymer & Material Science: Serves as a monomer or cross-linking agent for creating specialty polymers, such as polyurethanes and polyureas, with precise structural control.
• Chemical Biology & Bioconjugation: Enables the labeling and modification of biomolecules through its reactive isocyanate group, facilitating probe and linker synthesis.
• Ligand & Catalyst Development: Employed in the preparation of novel ligands for transition metal catalysis and as a precursor for functionalized materials.
• Organic Synthesis Research: A versatile reagent for academic and industrial research exploring new C-C and C-N bond-forming reactions.

Basic Information

Product Name	(4-Isocyanatophenyl)Boronic Acid, Pinacol Ester
CAS No.	380430-64-8
Molecular Formula	C₁₃H₁₆BNO₃
Molecular Weight	245.09 g/mol
Synonyms	4-Isocyanatophenylboronic Acid Pinacol Ester; 1-Isocyanato-4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene; 2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; (4-Isocyanatophenyl)boronic Acid Pinanediol Ester (common alternative); PINACOL (4-ISOCYANATOPHENYL)BORONATE; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl Isocyanate
EINECS	Contact for details

Quality Control

Our (4-Isocyanatophenyl)Boronic Acid, Pinacol Ester is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. We provide comprehensive analytical data, including HPLC, NMR, and FTIR, to verify identity and purity. Certificates of Analysis (COA) are available upon request for every batch shipped.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at 2-8°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive and light-sensitive nature. Allow the container to reach room temperature before opening to minimize moisture ingress.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95% (Area %)
Water Content (KF)	≤ 0.5%

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