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2(1H)-Isoquinolinecarboxylic Acid, 3,4-Dihydro-7-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester CAS NO 937048-76-5
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CAS No.:937048-76-5
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2(1H)-Isoquinolinecarboxylic Acid, 3,4-Dihydro-7-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester is a high-value, advanced pharmaceutical intermediate featuring a protected boronic ester functional group. This compound is critical for enabling efficient cross-coupling reactions, such as the Suzuki-Miyaura reaction, which are fundamental to modern medicinal chemistry and drug discovery. It is primarily sought after by research institutions and pharmaceutical companies engaged in the synthesis of novel heterocyclic compounds and active pharmaceutical ingredients (APIs).
Application
- Pharmaceutical Intermediate: A key building block in the synthesis of complex drug candidates, particularly those containing isoquinoline or related heterocyclic scaffolds.
- Suzuki-Miyaura Cross-Coupling Reagent: The pinacol boronate ester moiety makes this compound an essential reagent for forming carbon-carbon bonds under mild conditions.
- Medicinal Chemistry Research: Used in high-throughput screening and lead optimization programs to create diverse molecular libraries for biological evaluation.
- Organic Synthesis: Serves as a versatile precursor for the introduction of functionalized isoquinoline units into more complex organic molecules.
- Agrochemical Development: Potential intermediate in the research and synthesis of novel crop protection agents and herbicides.
- Material Science Research: Can be utilized in the development of organic electronic materials and ligands for catalytic systems.
Basic Information
| Product Name | 2(1H)-Isoquinolinecarboxylic Acid, 3,4-Dihydro-7-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester |
| CAS No. | 937048-76-5 |
| Molecular Formula | C20H28BNO4 |
| Molecular Weight | 357.26 g/mol |
| Synonyms | tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate; 7-BPin-DHIQ-C(O)O-tBu; 3,4-Dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylic Acid 1,1-Dimethylethyl Ester; 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylic Acid tert-Butyl Ester; N-Boc-7-Pinacolatoboryl-1,2,3,4-tetrahydroisoquinoline; tert-Butyl 7-(pinacolatoboryl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| EINECS | Contact for details |
Quality Control
Our production of 2(1H)-Isoquinolinecarboxylic Acid, 3,4-Dihydro-7-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, 1,1-Dimethylethyl Ester adheres to stringent quality protocols to ensure batch-to-batch consistency and reliability for sensitive synthetic applications. All materials are characterized by advanced analytical techniques including NMR, HPLC, and LC-MS. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory documentation.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage and when dispensing to prevent degradation.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (HPLC) | Conforms |
| Identification (NMR) | Conforms |
| 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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