Description

3-Cyclopropyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile is a high-value, advanced pharmaceutical intermediate and building block featuring a strategically positioned boronic ester group. This compound is essential for facilitating key carbon-carbon bond-forming reactions, such as the Suzuki-Miyaura cross-coupling, which are fundamental to modern medicinal chemistry and materials science. It is primarily sought after by R&D chemists and process development teams in the pharmaceutical, agrochemical, and specialty chemical industries for the synthesis of novel active compounds and functional materials.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly in oncology and central nervous system (CNS) therapeutic areas.
• Suzuki-Miyaura Cross-Coupling Reactions: The pinacol boronate ester moiety serves as a versatile handle for efficient palladium-catalyzed coupling with aryl or vinyl halides, enabling the construction of complex biaryl structures.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the cyclopropyl and benzonitrile groups can impart specific biological activity.
• Material Science Research: Employed as a monomer or precursor in the development of organic electronic materials, such as polymers for OLEDs (Organic Light-Emitting Diodes) or OFETs (Organic Field-Effect Transistors).
• Chemical Biology & Proteomics: Can be utilized as a tag or linker in the development of chemical probes for studying protein function and biological pathways.
• Custom Synthesis & Contract Manufacturing: Serves as a key starting material for custom synthesis organizations (CSOs) and CDMOs (Contract Development and Manufacturing Organizations) serving global clients.

Basic Information

Product Name	3-Cyclopropyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile
CAS No.	1220696-45-6
Molecular Formula	C16H20BNO2
Molecular Weight	269.15 g/mol
Synonyms	3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 3-Cyclopropyl-5-(pinacolatoboryl)benzonitrile; 5-Cyano-3-cyclopropylphenylboronic acid pinacol ester; (3-Cyano-5-cyclopropylphenyl)boronic acid pinacol ester; 3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile; Boronic acid, B-[3-cyano-5-cyclopropylphenyl]-, pinacol ester; CAS 1220696-45-6
EINECS	Contact for details

Quality Control

Our production of 3-Cyclopropyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. All materials are characterized and released based on comprehensive analytical testing, including NMR (1H, 13C, 11B), HPLC, and GC analysis. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting purity, identity, and impurity profiles.

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 product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when appropriate to maintain stability and prevent hydrolysis of the boronic ester group. 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%
Water Content (KF)	≤ 0.5%

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