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1,3,2-Dioxaborolane, 4,4,5,5-Tetramethyl-2-[3-(Trifluoromethyl)Bicyclo[1.1.1]Pent-1-Yl]- CAS NO 2410440-14-9
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CAS No.:2410440-14-9
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
1,3,2-Dioxaborolane, 4,4,5,5-Tetramethyl-2-[3-(Trifluoromethyl)Bicyclo[1.1.1]Pent-1-Yl]- is a highly specialized organoboron reagent featuring a unique, rigid bicyclo[1.1.1]pentane (BCP) scaffold. This compound matters for its role as a critical building block in modern pharmaceutical and agrochemical research, enabling the direct introduction of the BCP motif, a valuable isostere for a para-substituted benzene ring or a tert-butyl group. Researchers and process chemists in life sciences need it to develop new drug candidates with improved metabolic stability, solubility, and physicochemical properties.
Application
- Suzuki-Miyaura Cross-Coupling Reactions: As a key boron reagent for introducing the 3-(trifluoromethyl)bicyclo[1.1.1]pent-1-yl group into complex molecules.
- Pharmaceutical Intermediate: Synthesis of active pharmaceutical ingredients (APIs) targeting central nervous system (CNS) disorders, inflammation, and oncology.
- Agrochemical Development: Creation of novel herbicides and fungicides with enhanced efficacy and environmental profiles.
- Materials Science Research: Incorporation into organic frameworks and polymers to tune electronic properties and structural rigidity.
- PET Ligand Synthesis: Potential use in developing radiotracers for positron emission tomography (PET) imaging.
- Medicinal Chemistry: A versatile building block for constructing bioisosteres in structure-activity relationship (SAR) studies.
Basic Information
| Item | Details |
|---|---|
| Product Name | 1,3,2-Dioxaborolane, 4,4,5,5-Tetramethyl-2-[3-(Trifluoromethyl)Bicyclo[1.1.1]Pent-1-Yl]- |
| CAS No. | 2410440-14-9 |
| Molecular Formula | C12H18BF3O2 |
| Molecular Weight | 262.08 g/mol |
| Synonyms | 2-[3-(Trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-boronic acid pinacol ester; 1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)bicyclo[1.1.1]pentane; BCP-BPin (TFM); [3-(Trifluoromethyl)bicyclo[1.1.1]pent-1-yl]boronic acid pinacol ester; (3-(Trifluoromethyl)bicyclo[1.1.1]pent-1-yl)boronic acid pinacol ester |
| EINECS | Contact for details |
Quality Control
Our 1,3,2-Dioxaborolane, 4,4,5,5-Tetramethyl-2-[3-(Trifluoromethyl)Bicyclo[1.1.1]Pent-1-Yl]- is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR (¹H, ¹³C, ¹¹B) and HPLC analysis, to ensure high chemical purity and identity. Certificates of Analysis (COA) detailing all specifications are available upon request.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, it is recommended to handle and store the product under an inert atmosphere (e.g., nitrogen or argon) to maintain stability and purity. Recommended long-term storage temperature is 2-8°C.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white solid |
| Identification (NMR) | Conforms to structure |
| Purity (HPLC) | ≥ 95% |
| Water Content (KF) | ≤ 0.5% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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