Description

2-Cyclohexen-1-One, 3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethyl)- is a highly functionalized, advanced pharmaceutical intermediate featuring both a cyclic enone and a pinacol boronate ester group. This compound is valued for its dual reactivity, enabling precise carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions and serving as a versatile building block for complex molecular architectures. It is primarily sought by R&D chemists and process development teams in the pharmaceutical, agrochemical, and advanced materials sectors for the synthesis of novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of complex drug candidates, particularly those requiring the introduction of trifluoromethyl and boronic ester functional groups for bioactivity and metabolic stability.
• Suzuki-Miyaura Cross-Coupling Reagent: Used in palladium-catalyzed cross-coupling reactions to form carbon-carbon bonds, essential for constructing biaryl and conjugated systems in medicinal chemistry.
• Agrochemical Synthesis: Employed in the research and development of new herbicides, fungicides, and insecticides where the specific substitution pattern can enhance efficacy and environmental profile.
• Material Science Research: Serves as a monomer or precursor for creating specialized polymers and organic electronic materials with tailored optical or electronic properties.
• Chemical Biology Probes: Utilized in the development of molecular probes and tags for studying biological processes, leveraging the handle provided by the boronate ester for further conjugation.
• Process Chemistry Development: Acts as a critical intermediate for scaling up the production of target molecules from laboratory to pilot plant scale.

Basic Information

Product Name	2-Cyclohexen-1-One, 3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethyl)-
CAS No.	1210418-40-8
Molecular Formula	C₁₃H₂₀BF₃O₃
Molecular Weight	292.11 g/mol
Synonyms	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)cyclohex-2-en-1-one; 5-(Trifluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyclohexen-1-one; 3-(Pinacolatoboryl)-5-(trifluoromethyl)-2-cyclohexen-1-one; 3-Boronic acid, 5-(trifluoromethyl)-2-cyclohexen-1-one, pinacol ester; 1210418-40-8; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-2-cyclohexenone
EINECS	Contact for details

Quality Control

Our production of 2-Cyclohexen-1-One, 3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-5-(Trifluoromethyl)- adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical characterization, including NMR, HPLC, and GC analysis, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. Our quality system is designed to support cGMP and ISO standards for pharmaceutical and fine chemical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when appropriate to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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