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3-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoic Acid CAS NO 515131-35-8
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CAS No.:515131-35-8
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is a high-value, multi-functional boronic ester derivative that serves as a critical building block in modern synthetic chemistry. Its core value lies in enabling efficient carbon-carbon bond formation via the Suzuki-Miyaura cross-coupling reaction, a cornerstone of pharmaceutical and advanced materials research. This compound is essential for medicinal chemists and process development scientists working on active pharmaceutical ingredients (APIs), agrochemicals, and organic electronic materials.
Application
- Pharmaceutical Intermediate: Key building block for synthesizing novel drug candidates, particularly in constructing biaryl and heterobiaryl scaffolds common in oncology, CNS, and anti-inflammatory therapies.
- Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides, where its boronate group allows for the precise introduction of the substituted benzoic acid moiety.
- Material Science: Serves as a monomer or precursor in the synthesis of organic semiconductors, liquid crystals, and metal-organic frameworks (MOFs) for electronic and photonic applications.
- Chemical Research & Development: A versatile reagent in academic and industrial R&D labs for methodology development and creating complex organic molecules through palladium-catalyzed cross-coupling reactions.
- Peptide Modification & Bioconjugation: The carboxylic acid group allows for further functionalization, making it useful for creating boronic acid-based sensors or probes for biochemical applications.
Basic Information
| Item | Details |
|---|---|
| Product Name | 3-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoic Acid |
| CAS No. | 515131-35-8 |
| Molecular Formula | C14H19BO4 |
| Molecular Weight | 262.11 g/mol |
| Synonyms | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-methylbenzoic acid; 3-Methyl-4-(pinacolatoboryl)benzoic acid; 4-Pinacolatoborane-3-methylbenzoic acid; Benzoic acid, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 515131-35-8; 3-Methyl-4-boronic acid pinacol ester benzoic acid |
| EINECS | Contact for details |
Quality Control
Our 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for research and scale-up. A detailed Certificate of Analysis (COA) is provided with each shipment, guaranteeing traceability and consistent quality for your critical synthetic applications.
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 inert atmosphere (e.g., nitrogen or argon) for prolonged use to maintain optimal purity and reactivity.
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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