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3-Butoxy-4-(Trifluoromethoxy)Phenylboronic Acid CAS NO 2096339-68-1


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CAS No.:2096339-68-1

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-Butoxy-4-(Trifluoromethoxy)Phenylboronic Acid is a high-purity, functionalized boronic acid derivative designed for advanced synthetic chemistry. This compound is a critical building block in modern pharmaceutical and agrochemical research, enabling the formation of carbon-carbon bonds via Suzuki-Miyaura cross-coupling reactions. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries to create complex molecular architectures.

Application

  • Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those requiring the 3-butoxy-4-(trifluoromethoxy)phenyl moiety.
  • Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides where the trifluoromethoxy group enhances biological activity and metabolic stability.
  • Material Science Research: Serves as a monomer or functionalization agent in the creation of advanced polymers, liquid crystals, and organic electronic materials.
  • Cross-Coupling Reactions: An essential reagent in palladium-catalyzed Suzuki-Miyaura cross-coupling for constructing biaryl and heterobiaryl structures in medicinal chemistry.
  • Chemical Biology Probes: Employed in the synthesis of molecular probes and sensors that leverage boronic acid's affinity for diols.
  • Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for custom synthesis projects and scale-up campaigns.

Basic Information

Product Name 3-Butoxy-4-(Trifluoromethoxy)Phenylboronic Acid
CAS No. 2096339-68-1
Molecular Formula C11H14BF3O4
Molecular Weight 278.04 g/mol
Synonyms [3-Butoxy-4-(trifluoromethoxy)phenyl]boronic acid; 4-Butoxy-3-(trifluoromethoxy)benzeneboronic acid; 3-Butoxy-4-(trifluoromethoxy)benzeneboronic acid; B-[3-Butoxy-4-(trifluoromethoxy)phenyl]boronic acid; (3-Butoxy-4-(trifluoromethoxyphenyl)boronic acid; CAS 2096339-68-1
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Quality Control

Our 3-Butoxy-4-(Trifluoromethoxy)Phenylboronic Acid is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. Each lot is analyzed using advanced techniques including HPLC, NMR (¹H, ¹³C, ¹¹B, ¹⁹F), and mass spectrometry. Comprehensive Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided and available upon request.

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 material is hygroscopic (moisture-sensitive) and light-sensitive; containers must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Purity (HPLC) ≥ 97.0%
Water Content (KF) ≤ 0.5%
Heavy Metals ≤ 20 ppm
Residue on Ignition ≤ 0.1%

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

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