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5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-2-(Trifluoromethyl)Aniline CAS NO 2181780-09-4


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CAS No.:2181780-09-4

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-2-(Trifluoromethyl)Aniline is a high-value, multifunctional aromatic amine derivative containing both a pinacol boronate ester and a trifluoromethyl group. This compound serves as a critical advanced pharmaceutical intermediate and key building block in modern synthetic chemistry, enabling the construction of complex molecules. It is primarily required by R&D and production teams in the pharmaceutical, agrochemical, and material science industries for developing novel active ingredients and functional materials.

Application

  • Suzuki-Miyaura Cross-Coupling Reactions: The pinacol boronate ester group makes this compound an essential reagent for forming carbon-carbon bonds, a fundamental step in synthesizing complex biaryl structures prevalent in drug candidates.
  • Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders, oncology, and inflammatory diseases where the trifluoromethyl group enhances metabolic stability and bioavailability.
  • Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, leveraging the unique properties of the boron and fluorine atoms.
  • Material Science & OLED Development: Acts as a building block for creating organic light-emitting diode (OLED) materials and other advanced organic electronic components, where the aniline and boronic ester functionalities allow for precise molecular engineering.
  • Ligand & Catalyst Design: Employed in the development of novel ligands for transition metal catalysis and organocatalysts due to its electron-donating aniline nitrogen and sterically hindered boronate group.
  • Chemical Biology & Proteolysis Targeting Chimeras (PROTACs): Utilized as a linker or warhead component in the design of bifunctional molecules for targeted protein degradation, a cutting-edge therapeutic modality.

Basic Information

Item Details
Product Name 5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-2-(Trifluoromethyl)Aniline
CAS No. 2181780-09-4
Molecular Formula C13H17BF3NO2
Molecular Weight 287.09 g/mol
Synonyms 2-(Trifluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; [5-Amino-2-(trifluoromethyl)phenyl]boronic acid pinacol ester; 5-Amino-2-(trifluoromethyl)benzeneboronic acid pinacol ester; 2-Trifluoromethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; Boronic acid, B-[5-amino-2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenamine
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Quality Control

Every batch of 5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-2-(Trifluoromethyl)Aniline is produced and tested under a strict quality management system. We employ advanced analytical techniques including HPLC, GC, NMR (1H, 13C, 19F, 11B), and mass spectrometry to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment, and we support cGMP compliance for pharmaceutical applications.

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). Keep the container sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maximize stability. 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%
Residue on Ignition ≤ 0.1%
Single Unknown Impurity (HPLC) ≤ 0.5%
Total Impurities (HPLC) ≤ 3.0%

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

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