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Methyl 3-Ethoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate CAS NO 1218789-54-8
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CAS No.:1218789-54-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Methyl 3-Ethoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate is a high-value, advanced pharmaceutical intermediate and organic synthesis building block. Its core value lies in the versatile boronic ester functional group, which enables critical carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions. This compound is essential for research chemists and process development teams in the pharmaceutical, agrochemical, and materials science industries who require reliable, high-purity precursors for constructing complex molecular architectures.
Application
- Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs), especially in oncology and central nervous system (CNS) drug discovery pipelines.
- Suzuki-Miyaura Cross-Coupling Reagent: Enables efficient palladium-catalyzed coupling with aryl/vinyl halides to create biaryl and conjugated systems prevalent in modern organic molecules.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides requiring specific aryl-ether-boronate motifs.
- Material Science & OLED Development: Serves as a precursor for creating organic electronic materials, including charge-transport layers and emissive materials in OLED displays.
- Ligand & Catalyst Development: Utilized in the synthesis of novel bidentate ligands and organometallic catalysts for asymmetric synthesis.
- Chemical Biology & Proteolysis Targeting Chimeras (PROTACs): A valuable linker or warhead component in the design of bifunctional molecules for targeted protein degradation.
Basic Information
| Item | Detail |
|---|---|
| Product Name | Methyl 3-Ethoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate |
| CAS No. | 1218789-54-8 |
| Molecular Formula | C16H23BO5 |
| Molecular Weight | 306.16 g/mol |
| Synonyms | 3-Ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; Methyl 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-ethoxybenzoic Acid Methyl Ester; Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-ethoxybenzoate; 3-Ethoxy-5-(pinacolatoboryl)benzoic Acid Methyl Ester; Methyl 3-ethoxy-5-(pinacolatoboryl)benzoate; 1218789-54-8; Pinacol 3-Ethoxy-5-(methoxycarbonyl)phenylboronate |
| EINECS | Contact for details |
Quality Control
Our Methyl 3-Ethoxy-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR (1H, 13C, 11B), and GC/MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific customer or 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). This material is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for prolonged operations to maintain stability and purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure (1H, 13C) |
| Purity (HPLC) | ≥97.0% (Area %) |
| 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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