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tert-Butyl 6-Fluoro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indazole-1-Carboxylate CAS NO 1333319-72-4


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CAS No.:1333319-72-4

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

tert-Butyl 6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate CAS NO 1333319-72-4 is a high-purity, advanced pharmaceutical intermediate featuring a strategically positioned boronic ester functional group. This compound is a critical building block in modern medicinal chemistry, enabling efficient cross-coupling reactions for the synthesis of complex bioactive molecules. It is primarily utilized by research institutions and pharmaceutical companies engaged in the discovery and development of new therapeutic agents, particularly in oncology and CNS disorders.

Application

  • Suzuki-Miyaura Cross-Coupling Reactions: Serves as a key boronic ester reagent for constructing biaryl and heterobiaryl scaffolds in drug candidates.
  • Pharmaceutical Intermediate: A vital precursor in the multi-step synthesis of active pharmaceutical ingredients (APIs) targeting various disease pathways.
  • Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to develop novel indazole-based compounds.
  • Process Chemistry Development: Employed in scaling up synthetic routes from laboratory to pilot plant and commercial manufacturing scales.
  • Contract Research & Manufacturing (CRO/CMO): Supplied to organizations specializing in custom synthesis and development services for the pharmaceutical industry.
  • Library Synthesis: Facilitates the creation of diverse compound libraries for high-throughput screening in drug discovery programs.

Basic Information

Product Name tert-Butyl 6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate
CAS No. 1333319-72-4
Molecular Formula C₁₈H₂₄BFN₂O₄
Molecular Weight 362.20 g/mol
Synonyms 1-Boc-6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 6-Fluoro-1H-indazole-1-carboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester; tert-Butyl 6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate; 6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylic acid tert-butyl ester; 1333319-72-4; 1-Boc-6-Fluoro-4-BPin-indazole
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Quality Control

Our tert-Butyl 6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR (¹H and ¹³C), and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to support your quality and regulatory requirements.

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). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation.

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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