Description

4-(6-Methyl-4,8-Dioxo-1,3,6,2-Dioxazaborocan-2-Yl)Benzonitrile is a specialized organoboron compound featuring a unique dioxazaborocane heterocycle, offering a versatile platform for advanced chemical synthesis. Its core value lies in its dual functionality, serving as a protected boronic acid equivalent and a nitrile-containing building block, which is critical for constructing complex molecular architectures. This high-purity intermediate is essential for researchers and manufacturers in pharmaceutical development, particularly in the synthesis of active pharmaceutical ingredients (APIs) and for creating novel materials in organic electronics.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of complex drug candidates, especially those requiring boron-containing motifs for Suzuki-Miyaura cross-coupling reactions.
• Organic Light-Emitting Diode (OLED) Materials: Used in the development of electron-transport or host materials due to its stable heterocyclic boron and nitrile functionalities.
• Ligand Synthesis for Catalysis: Serves as a precursor for creating novel bidentate or tridentate ligands used in transition metal catalysis.
• Polymer Chemistry: Incorporated into specialty polymers to impart specific thermal, optical, or electronic properties.
• Agrochemical Research: Employed in the discovery and synthesis of new crop protection agents with novel modes of action.
• Chemical Biology Probes: Utilized in the design of molecular probes for studying biological processes, leveraging the boronate ester's reactivity.

Basic Information

Product Name	4-(6-Methyl-4,8-Dioxo-1,3,6,2-Dioxazaborocan-2-Yl)Benzonitrile
CAS No.	1884492-36-7
Molecular Formula	C13H11BN2O4
Molecular Weight	270.05 g/mol
Synonyms	4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile; 2-(4-Cyanophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 4-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborinan-2-yl)benzonitrile; Boronic acid, B-(4-cyanophenyl)-, 2,2'-(1-methylethylidene)bis[4,4,6-trimethyl-1,3,2-dioxaborinane] ester (related precursor); MDBB; Contact for additional synonyms.
EINECS	Contact for details

Quality Control

Our 4-(6-Methyl-4,8-Dioxo-1,3,6,2-Dioxazaborocan-2-Yl)Benzonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via NMR and IR spectroscopy, to ensure it meets the high standards required for research and commercial synthesis. Certificates of Analysis (COA) with detailed specifications are provided for every shipment.

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). This compound is hygroscopic (moisture-sensitive); therefore, containers must be kept tightly sealed and under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

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.