Description

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluorobenzonitrile is a high-value, multi-functional organoboron building block used in advanced organic synthesis. This compound is critical for enabling efficient carbon-carbon bond formation, particularly in the synthesis of complex pharmaceutical intermediates and functional materials. It is primarily sought by research and development chemists in the pharmaceutical, agrochemical, and material science industries for constructing novel molecular architectures.

Application

• Suzuki-Miyaura Cross-Coupling Reactions: A key reagent for introducing the substituted benzonitrile moiety into complex molecules, enabling the synthesis of biaryl structures prevalent in active pharmaceutical ingredients (APIs).
• Pharmaceutical Intermediate Synthesis: Serves as a crucial precursor in the development of drug candidates, especially those containing fluorinated aromatic systems for enhanced metabolic stability and bioavailability.
• Agrochemical Research: Used in the discovery and synthesis of novel herbicides, fungicides, and insecticides where the fluorine and nitrile groups confer specific biological activity.
• Material Science & OLED Development: Employed in the synthesis of organic semiconductors, liquid crystals, and light-emitting materials for electronic devices.
• Chemical Biology & Probe Development: Utilized as a building block for creating molecular probes and tags used in bioimaging and diagnostic applications.
• Scale-up Process Chemistry: Suitable for transition from laboratory-scale research to pilot and commercial-scale manufacturing of fine chemicals.

Basic Information

Item	Detail
Product Name	4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluorobenzonitrile
CAS No.	628692-13-7
Molecular Formula	C13H15BFNO2
Molecular Weight	247.08 g/mol
Synonyms	3-Fluoro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluorobenzonitrile; 2-(4-Cyano-2-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane; 3-Fluoro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; 4-(Dimethylborinanyl)-3-fluorobenzonitrile; 3-Fluoro-4-(N,N-dimethylborinanyl)benzonitrile (common name); Pinacol boronate ester derivative of 4-cyano-2-fluorophenylboronic acid
EINECS	Contact for details

Quality Control

Our 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluorobenzonitrile is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. All products undergo rigorous analytical testing, including HPLC, NMR (1H, 13C, 19F, 11B), and GC/MS, to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment. We adhere to cGMP principles where applicable to support our clients' regulatory requirements.

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). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (argon or nitrogen) after opening to prevent moisture absorption and decomposition. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥97.0% (Area %)
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.