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2-(Cyclopropylmethoxy)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile CAS NO 1426921-31-4
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CAS No.:1426921-31-4
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2-(Cyclopropylmethoxy)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile is a high-value boronic ester derivative, a key intermediate in modern synthetic chemistry. Its core value lies in enabling precise carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions, a cornerstone of pharmaceutical and advanced materials development. This compound is essential for research chemists and process development scientists in the pharmaceutical, agrochemical, and organic electronics industries who require reliable, high-purity building blocks for constructing complex molecular architectures.
Application
- Pharmaceutical Intermediate: A critical building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, and oncology.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging the cyclopropyl moiety for enhanced biological activity.
- Material Science Research: Serves as a precursor for organic semiconductors, liquid crystals, and polymers where the benzonitrile and boronate functional groups are integral to electronic properties.
- Cross-Coupling Reactions: Primarily employed in palladium-catalyzed Suzuki-Miyaura cross-couplings to introduce the substituted phenyl moiety into complex molecules.
- Chemical Library Development: A valuable reagent for medicinal chemistry and high-throughput screening libraries to explore new chemical space.
- Academic & Industrial R&D: Fundamental research tool in synthetic organic chemistry laboratories for methodology development and complex molecule synthesis.
Basic Information
| Product Name | 2-(Cyclopropylmethoxy)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile |
| CAS No. | 1426921-31-4 |
| Molecular Formula | C₁₇H₂₂BNO₃ |
| Molecular Weight | 299.18 g/mol |
| Synonyms | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(cyclopropylmethoxy)benzonitrile; 2-(Cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; Benzonitrile, 2-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 2-Cyclopropylmethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile; Pinacol ester of [2-(Cyclopropylmethoxy)-5-cyanophenyl]boronic acid |
| EINECS | Contact for details |
Quality Control
Our 2-(Cyclopropylmethoxy)-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and LC-MS, to ensure high chemical purity and structural identity. Certificates of Analysis (COA) detailing purity, assay, and impurity profiles are provided with every shipment to support your quality assurance and regulatory documentation needs.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, it is recommended to store the product under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. Recommended storage temperature: 2-8°C for optimal stability.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥97.0% |
| Assay | ≥95.0% |
| Water Content (KF) | ≤0.5% |
| Residue on Ignition | ≤0.1% |
| Single Unknown Impurity (HPLC) | ≤1.0% |
| 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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