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(2S)-1,2-Pyrrolidinedicarboxylic Acid,4,4-Difluoro-3,3-Dimethyl-,1-(1,1-Dimethylethyl)Ester CAS NO 478698-32-7
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CAS No.:478698-32-7
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
(2S)-1,2-Pyrrolidinedicarboxylic Acid,4,4-Difluoro-3,3-Dimethyl-,1-(1,1-Dimethylethyl)Ester is a high-value, fluorinated pyrrolidine derivative, serving as a critical chiral building block in advanced organic synthesis. Its core value lies in the precise stereochemistry and the introduction of fluorine atoms, which are essential for modulating the biological activity, metabolic stability, and physicochemical properties of target molecules. This compound is primarily needed by research and development teams in the pharmaceutical and agrochemical industries for the development of new active ingredients.
Application
- Pharmaceutical Intermediate: A key chiral synthon for the research and development of novel active pharmaceutical ingredients (APIs), particularly in protease inhibitor and neurological drug candidates.
- Agrochemical Synthesis: Used in the creation of advanced, fluorinated pesticides and herbicides where the fluorine atoms enhance lipophilicity and biological activity.
- Peptidomimetics Research: Serves as a constrained, fluorinated proline analogue for designing peptide mimics with improved stability and binding affinity.
- Asymmetric Catalysis Ligand Precursor: The chiral backbone can be utilized to develop novel ligands for asymmetric synthesis.
- Material Science: Potential monomer or additive for specialty polymers where fluorine content imparts unique surface properties.
- Chemical Biology Probes: Useful for synthesizing fluorinated probes to study enzyme mechanisms and protein interactions.
Basic Information
| Product Name | (2S)-1,2-Pyrrolidinedicarboxylic Acid,4,4-Difluoro-3,3-Dimethyl-,1-(1,1-Dimethylethyl) Ester |
| CAS No. | 478698-32-7 |
| Molecular Formula | C12H19F2NO4 |
| Molecular Weight | 279.28 g/mol |
| Synonyms | (2S)-4,4-Difluoro-3,3-dimethyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid; tert-Butyl (2S)-4,4-difluoro-3,3-dimethyl-2-pyrrolidinecarboxylate; (2S)-1-(tert-Butoxycarbonyl)-4,4-difluoro-3,3-dimethylpyrrolidine-2-carboxylic acid; Boc-4,4-Difluoro-3,3-dimethyl-D-proline; (S)-1-Boc-4,4-difluoro-3,3-dimethylpyrrolidine-2-carboxylic acid; 4,4-Difluoro-3,3-dimethyl-D-proline tert-butyl ester; 478698-32-7 |
| EINECS | Contact for details |
Quality Control
Our production of this advanced intermediate adheres to strict quality management protocols. Every batch is characterized and tested using advanced analytical techniques including HPLC, GC, NMR, and chiral analysis to ensure high chemical and chiral purity. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your regulatory and R&D documentation needs.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This compound is sensitive to strong alkali and fluorides; keep away from incompatible materials.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Identification (NMR) | Conforms to structure |
| Assay (HPLC) | ≥ 97.0% |
| Chiral Purity (Chiral HPLC) | ≥ 98.0% ee |
| Water Content (KF) | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Single Unknown Impurity (HPLC) | ≤ 1.0% |
| 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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