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Methyl 3-Fluoro-4-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate CAS NO 861905-22-8
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CAS No.:861905-22-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Methyl 3-Fluoro-4-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate is a high-purity boronic ester derivative, a critical building block in modern synthetic organic chemistry. Its value lies in enabling efficient Suzuki-Miyaura cross-coupling reactions, a cornerstone method for constructing complex biaryl and heterobiaryl structures. This compound is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors, where it is used to introduce functionalized benzoate motifs into target molecules.
Application
- Pharmaceutical Intermediate: Key building block for synthesizing active pharmaceutical ingredients (APIs), particularly those containing fluorinated and methylated aromatic systems.
- Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides that require specific fluorinated aromatic scaffolds.
- Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands used in catalysis and molecular recognition.
- Material Science Research: Employed in the synthesis of organic electronic materials, such as polymers and small molecules for OLEDs and OFETs.
- Chemical Biology Probes: Useful for constructing fluorinated molecular probes and tags for imaging and diagnostic applications.
- Custom Synthesis and Contract Manufacturing: A valuable starting material for custom synthesis projects requiring precise aromatic functionalization.
Basic Information
| Product Name | Methyl 3-Fluoro-4-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate |
| CAS No. | 861905-22-8 |
| Molecular Formula | C15H20BFO4 |
| Molecular Weight | 294.13 g/mol |
| Synonyms | 3-Fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; Methyl 3-fluoro-4-methyl-5-(pinacolatoboron)benzoate; 5-(Pinacolatoboran-2-yl)-3-fluoro-4-methylbenzoic acid methyl ester; 861905-22-8; Benzoic acid, 3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester |
| EINECS | Contact for details |
Quality Control
Our Methyl 3-Fluoro-4-Methyl-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, and MS, to ensure high chemical purity and structural integrity. Certificates of Analysis (COA) detailing batch-specific results are provided to guarantee traceability and compliance with your research or production standards.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage or after opening to maintain 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% |
| 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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