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3-Azaspiro[5.5]Undec-8-Ene-3-Carboxylic Acid, 9-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester CAS NO 1628502-01-1
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CAS No.:1628502-01-1
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
3-Azaspiro[5.5]Undec-8-Ene-3-Carboxylic Acid, 9-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester is a high-value, advanced pharmaceutical intermediate featuring a unique spirocyclic structure and a pinacol boronate ester functional group. This compound is specifically engineered for use in Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology in modern synthetic chemistry for carbon-carbon bond formation. It is an essential building block for medicinal chemists and process R&D teams in the pharmaceutical and agrochemical industries, enabling the efficient synthesis of complex, biologically active molecules for drug discovery and development programs.
Application
- Pharmaceutical Intermediate: A key precursor in the synthesis of novel active pharmaceutical ingredients (APIs) and drug candidates, particularly those requiring spirocyclic or complex aliphatic architectures.
- Suzuki-Miyaura Cross-Coupling Reagent: The pinacol boronate ester moiety allows for efficient, palladium-catalyzed coupling with aryl or vinyl halides, enabling the construction of complex molecular frameworks under mild conditions.
- Medicinal Chemistry & Drug Discovery: Used in lead optimization and library synthesis to explore structure-activity relationships (SAR) and develop new therapeutic agents.
- Agrochemical Research: Serves as a building block for developing new crop protection agents and pesticides with novel modes of action.
- Material Science Research: Potential intermediate in the synthesis of specialty chemicals and functional materials requiring precise molecular engineering.
- Process Chemistry Development: Employed in route scouting and scale-up studies for the efficient, large-scale manufacturing of target compounds.
Basic Information
| Item | Details |
|---|---|
| Product Name | 3-Azaspiro[5.5]Undec-8-Ene-3-Carboxylic Acid, 9-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester |
| CAS No. | 1628502-01-1 |
| Molecular Formula | C20H34BNO4 |
| Molecular Weight | 363.30 g/mol |
| Synonyms | tert-Butyl 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azaspiro[5.5]undec-8-ene-3-carboxylate; 3-((tert-Butoxycarbonyl))-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azaspiro[5.5]undec-8-ene; 9-Boc-3-azaspiro[5.5]undec-8-ene-9-boronic acid pinacol ester; BOC-Protected 3-Azaspiro[5.5]Undec-8-Ene-9-Boronic Acid Pinacol Ester; CAS 1628502-01-1 |
| EINECS | Contact for details |
Quality Control
We maintain stringent quality control protocols for all our advanced intermediates. Each batch of 3-Azaspiro[5.5]Undec-8-Ene-3-Carboxylic Acid, 9-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester is analyzed to ensure high chemical purity and consistency, meeting the exacting standards required for research and process development. A comprehensive Certificate of Analysis (COA) detailing identity, purity (typically by HPLC/NMR), and impurity profile is provided with every shipment.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). For long-term storage, consider storing under an inert atmosphere (e.g., nitrogen or argon) to maintain stability. Keep the container tightly sealed in a dry environment to prevent moisture absorption.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white solid |
| Identification (HPLC/MS) | Conforms |
| Identification (NMR) | Conforms |
| Purity (HPLC) | ≥ 95% (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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