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[3-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Phenoxy]-Acetic Acid tert-Butyl Ester CAS NO 769968-18-5
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CAS No.:769968-18-5
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
[3-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Phenoxy]-Acetic Acid tert-Butyl Ester is a high-purity, advanced pharmaceutical intermediate featuring a protected carboxylic acid group and a pinacol boronate ester moiety. This compound is a critical building block in modern synthetic chemistry, enabling efficient carbon-carbon bond formation via Suzuki-Miyaura cross-coupling reactions. It is primarily utilized by research institutions and manufacturers in the pharmaceutical and agrochemical industries for the development of novel active ingredients and complex organic molecules.
Application
- Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs) for oncology, CNS, and metabolic disease research.
- Suzuki-Miyaura Cross-Coupling: Essential boronic ester reagent for constructing biaryl and heterobiaryl scaffolds in medicinal chemistry.
- Agrochemical Synthesis: Building block for creating novel herbicides, fungicides, and plant growth regulators with complex aromatic backbones.
- Material Science Research: Used in the development of organic electronic materials, such as polymers and small molecules for OLEDs and OFETs.
- Chemical Biology Probes: Enables the synthesis of tagged molecules for studying biological pathways and protein interactions.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs for the production of client-specific target molecules under cGMP conditions.
Basic Information
| Product Name | [3-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Phenoxy]-Acetic Acid tert-Butyl Ester |
| CAS No. | 769968-18-5 |
| Molecular Formula | C18H27BO5 |
| Molecular Weight | 334.22 g/mol |
| Synonyms | tert-Butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate; 3-(Pinacolboryl)phenoxyacetic Acid tert-Butyl Ester; 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetic Acid 1,1-Dimethylethyl Ester; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxyacetic Acid tert-Butyl Ester; 769968-18-5; BRN 9089605 |
| EINECS | Contact for details |
Quality Control
Our [3-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Phenoxy]-Acetic Acid tert-Butyl Ester 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 all specifications are provided with every shipment. We support development and commercial projects requiring compliance with ICH guidelines and can supply material suitable for use in cGMP environments.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C or as specified on the label or COA. This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when possible to maintain stability and purity. Keep away from heat and open flame.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (HPLC) | Conforms to reference standard |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥97.0% |
| Water Content (KF) | ≤0.5% |
| Residue on Ignition | ≤0.1% |
| Single Unknown Impurity (HPLC) | ≤0.5% |
| 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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