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1-(2-Methylpropyl)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole CAS NO 847818-75-1


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CAS No.:847818-75-1

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

1-(2-Methylpropyl)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole is a high-value, protected boronic ester derivative of a pyrazole heterocycle, serving as a critical synthetic intermediate. Its primary value lies in enabling efficient Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology for constructing complex molecules in modern organic synthesis. This compound is essential for research and development chemists in the pharmaceutical, agrochemical, and advanced materials sectors, where it is used to introduce functionalized pyrazole motifs into target structures.

Application

  • Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates containing pyrazole cores.
  • Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides that incorporate heterocyclic scaffolds.
  • Material Science Research: Employed in the development of organic electronic materials, such as OLEDs and organic semiconductors, where precise molecular architecture is required.
  • Chemical Biology & Medicinal Chemistry: A versatile reagent for creating molecular probes, libraries for high-throughput screening, and structure-activity relationship (SAR) studies.
  • Catalyst Ligand Precursor: Can be utilized to synthesize novel N-heterocyclic ligands for transition metal catalysis.
  • Custom Synthesis & Contract Manufacturing: Supplied to CROs and CDMOs for bespoke synthesis projects requiring advanced boronic ester chemistry.

Basic Information

Product Name 1-(2-Methylpropyl)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole
CAS No. 847818-75-1
Molecular Formula C13H23BN2O2
Molecular Weight 250.15 g/mol
Synonyms 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-isobutyl-1H-pyrazole; 1-Isobutyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1H-Pyrazole, 1-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; Isobutylpyrazole boronic acid pinacol ester; 5-Pinacolatoboryl-1-isobutylpyrazole
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Quality Control

Our 1-(2-Methylpropyl)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR (1H, 13C, 11B), HPLC, and GC analysis, to ensure identity, purity, and consistency. Certificates of Analysis (COA) with detailed specifications are provided and available upon request to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when prolonged exposure is anticipated.

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%

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

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