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2-Isopropoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile CAS NO 1258440-84-4


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CAS No.:1258440-84-4

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

2-Isopropoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile is a high-value, synthetically versatile boronic ester derivative, serving as a critical building block in modern organic synthesis. Its core value lies in enabling efficient carbon-carbon bond formation via the Suzuki-Miyaura cross-coupling reaction, a cornerstone methodology for constructing complex molecular architectures. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials industries who require reliable, high-purity intermediates for drug discovery and specialty chemical development.

Application

  • Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those containing biaryl or substituted benzonitrile motifs.
  • Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides that require specific aromatic coupling steps.
  • Material Science: Building block for creating organic electronic materials, such as polymers and small molecules for OLEDs (Organic Light-Emitting Diodes) and OFETs (Organic Field-Effect Transistors).
  • Chemical Research & Development: Enables the exploration of new chemical spaces in academic and industrial R&D labs through palladium-catalyzed cross-coupling reactions.
  • Ligand and Catalyst Preparation: Serves as a starting material for synthesizing specialized ligands and organometallic catalysts.
  • Custom Synthesis and Contract Manufacturing: A vital reagent for fine chemical and custom synthesis houses producing bespoke compounds for client projects.

Basic Information

Product Name 2-Isopropoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile
CAS No. 1258440-84-4
Molecular Formula C16H22BNO3
Molecular Weight 287.16 g/mol
Synonyms 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-isopropoxybenzonitrile; 2-Isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; Benzonitrile, 2-isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; Pinacol 2-Isopropoxy-5-cyanophenylboronate; 2-Cyano-4-isopropoxyphenylboronic acid pinacol ester
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Quality Control

Our 2-Isopropoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high chemical purity and identity confirmation. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all relevant specifications. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring traceability, consistency, and reliability for your critical 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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from 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%

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

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