Description

[4-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Phenyl]Acetonitrile (Saltdata: Free) is a high-purity, advanced pharmaceutical intermediate featuring a protected boronic ester functional group. This compound is critical for enabling key carbon-carbon bond-forming reactions, such as the Suzuki-Miyaura cross-coupling, which are foundational to modern medicinal chemistry. It is primarily utilized by research institutions and pharmaceutical manufacturers for the synthesis of complex, biologically active molecules, including potential drug candidates and agrochemicals.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those requiring aryl-aryl coupling.
• Suzuki-Miyaura Cross-Coupling Reactions: Serves as a versatile boronic ester reagent for palladium-catalyzed coupling with aryl halides, enabling the construction of biaryl structures.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides that incorporate complex aromatic systems.
• Material Science: Employed in the research and development of organic electronic materials, such as OLEDs and semiconductors, where precise molecular architecture is required.
• Chemical Biology & Proteomics: Acts as a valuable tool compound for bioconjugation and the development of chemical probes targeting specific proteins or enzymes.
• Academic & Industrial R&D: A staple reagent in organic synthesis laboratories for methodological development and the creation of novel chemical libraries.

Basic Information

Item	Detail
Product Name	[4-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Phenyl]Acetonitrile (Saltdata: Free)
CAS No.	905966-41-8
Molecular Formula	C15H20BNO2
Molecular Weight	257.14 g/mol
Synonyms	4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzeneacetonitrile; 2-[4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile; (4-Cyanomethylphenyl)boronic acid, 5,5-dimethyl-1,3,2-dioxaborinane ester; 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenylacetonitrile; MIDA Boronate Ester of (4-Cyanomethylphenyl)boronic Acid; 905966-41-8 (CAS Registry Number)
EINECS	Contact for details

Quality Control

Our [4-(5,5-Dimethyl-1,3,2-Dioxaborinan-2-Yl)Phenyl]Acetonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high chemical purity and structural integrity. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) 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
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.