Description

5,5-Dimethyl-2-[2-(Trifluoromethyl)Phenyl]-1,3,2-Dioxaborinane is a specialized organoboron reagent, specifically a cyclic boronic ester, with the CAS number 95753-22-3. This compound is a valuable synthetic intermediate prized for its stability and reactivity in cross-coupling reactions, enabling the efficient construction of complex molecular architectures. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries for the synthesis of novel compounds containing the trifluoromethylphenyl moiety.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for introducing the biologically relevant 2-(trifluoromethyl)phenyl group.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides where the trifluoromethyl group enhances metabolic stability and bioavailability.
• Suzuki-Miyaura Cross-Coupling Reactions: Serves as a stable boronic ester partner for palladium-catalyzed cross-coupling with aryl/heteroaryl halides, a fundamental reaction in medicinal and process chemistry.
• Material Science Research: Employed in the creation of organic electronic materials, such as OLEDs or organic semiconductors, where precise control over aromatic systems is required.
• Chemical Biology & Probe Development: Useful for synthesizing molecular probes and tags for studying biological systems and drug-target interactions.
• Custom Synthesis & Contract Manufacturing: A critical reagent for custom synthesis organizations (CSOs) and CDMOs producing bespoke organic molecules for client projects.

Basic Information

Product Name	5,5-Dimethyl-2-[2-(Trifluoromethyl)Phenyl]-1,3,2-Dioxaborinane
CAS No.	95753-22-3
Molecular Formula	C13H16BF3O2
Molecular Weight	272.08 g/mol
Synonyms	2-(2-(Trifluoromethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane; [2-(Trifluoromethyl)phenyl]boronic acid 5,5-dimethyl-1,3,2-dioxaborinane ester; 2-(2-Trifluoromethylphenyl)-5,5-dimethyl-1,3,2-dioxaborinane; 5,5-Dimethyl-2-(2-trifluoromethylphenyl)-1,3,2-dioxaborinane; (2-(Trifluoromethyl)phenyl)boronic acid, cyclic ester with neopentyl glycol; Neopentyl glycol derived (2-(trifluoromethyl)phenyl)boronic ester
EINECS	Contact for details

Quality Control

Our 5,5-Dimethyl-2-[2-(Trifluoromethyl)Phenyl]-1,3,2-Dioxaborinane is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including NMR (1H, 11B, 13C) and HPLC analysis, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment and are available upon request 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 room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for prolonged manipulations to maintain optimal purity and reactivity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
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.