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tert-Butyl 3-Methyl-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indole-1-Carboxylate CAS NO 869852-13-1
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CAS No.:869852-13-1
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
tert-Butyl 3-Methyl-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indole-1-Carboxylate is a high-purity, protected indole boronic ester building block essential for modern synthetic chemistry. This compound is a critical intermediate in the synthesis of complex molecules, particularly in pharmaceutical research and development. It is primarily utilized by medicinal chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries for constructing novel indole-based scaffolds via cross-coupling reactions.
Application
- Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, especially those containing functionalized indole cores.
- Suzuki-Miyaura Cross-Coupling Reactions: Serves as a versatile boronate ester reagent for palladium-catalyzed carbon-carbon bond formation, enabling the introduction of the 3-methyl-2-indole moiety into complex molecular architectures.
- Medicinal Chemistry & Drug Discovery: Used in high-throughput screening libraries and structure-activity relationship (SAR) studies to explore new therapeutic agents.
- Agrochemical Synthesis: Intermediate in the development of novel herbicides, fungicides, and insecticides that leverage the indole structure.
- Advanced Material Precursor: Potential monomer or building block for creating organic electronic materials, such as OLEDs or conductive polymers.
- Academic & Contract Research: Essential reagent for universities and CROs (Contract Research Organizations) conducting cutting-edge research in synthetic organic chemistry.
Basic Information
| Item | Details |
|---|---|
| Product Name | tert-Butyl 3-Methyl-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indole-1-Carboxylate |
| CAS No. | 869852-13-1 |
| Molecular Formula | C20H28BNO4 |
| Molecular Weight | 357.25 g/mol |
| Synonyms | 1-Boc-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole; tert-Butyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate; 1H-Indole-1-carboxylic acid, 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester; 3-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylic acid tert-butyl ester; 1-Boc-2-(pinacolboryl)-3-methylindole; 2-(Pinacolatoboryl)-3-methyl-1H-indole-1-carboxylic acid tert-butyl ester |
| EINECS | Contact for details |
Quality Control
Our tert-Butyl 3-Methyl-2-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Indole-1-Carboxylate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity suitable for research and development applications. All products undergo rigorous analytical testing, including HPLC, NMR, and MS, to verify identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment.
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 prevent degradation.
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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