Description

2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile is a specialized organoboron compound featuring a unique dioxazaborocane heterocycle fused with a benzonitrile moiety. This molecular architecture makes it a valuable advanced intermediate or reagent in sophisticated organic synthesis, particularly for constructing complex molecules. It is primarily sought by pharmaceutical R&D and advanced material science laboratories for applications requiring precise boron incorporation.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), especially those targeting boron neutron capture therapy (BNCT) or as protease inhibitors.
• Ligand Synthesis: Used in the preparation of specialized ligands for catalysis, including potential applications in cross-coupling reactions.
• Material Science Precursor: Acts as a monomer or additive in the development of advanced polymeric materials with specific thermal or optical properties.
• Agrochemical Research: Employed in the discovery and synthesis of new-generation crop protection agents with novel modes of action.
• Organic Electronic Materials: Investigated as a component in the synthesis of organic semiconductors or electron-transport materials.
• Chemical Biology Probes: Utilized to create molecular probes for studying biological processes due to the unique reactivity of the boron-containing heterocycle.

Basic Information

Product Name	2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile
CAS No.	1356823-21-6
Molecular Formula	C₁₃H₁₁BN₂O₄
Molecular Weight	270.05 g/mol
Synonyms	2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile; 2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile; Benzonitrile, 2-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-; 1356823-21-6; 2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile; 2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile
EINECS	Contact for details

Quality Control

Our 2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile is produced under a strict quality management system. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are available upon request. We can support development projects with custom purity grades and analytical method development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, the container should be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent moisture absorption and potential decomposition. 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)	≥ 95.0% (Standard Grade)
Purity (HPLC)	≥ 98.0% (High Purity Grade)
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%

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