1-(Tert-butyl) 2-methyl (2S,4S)-4-(3-bromo-4-fluorophenoxy)pyrrolidine-1,2-dicarboxylate CAS 2442510-52-1
| CAS No. | 2442510-52-1 |
| Molecular Formula | C17H21BrFNO5 |
| Molecular Weight | 418.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(Tert-butyl) 2-methyl (2S,4S)-4-(3-bromo-4-fluorophenoxy)pyrrolidine-1,2-dicarboxylate (C17H21BrFNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1-(Tert-butyl) 2-methyl (2S,4S)-4-(3-bromo-4-fluorophenoxy)pyrrolidine-1,2-dicarboxylate (CAS 2442510-52-1), molecular formula C17H21BrFNO5 and molecular weight 418.25 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1-(Tert-butyl) 2-methyl (2S,4S)-4-(3-bromo-4-fluorophenoxy)pyrrolidine-1,2-dicarboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C17H21BrFNO5 |
| Molecular Weight | 418.25 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 1-(Tert-butyl) 2-methyl (2S,4S)-4-(3-bromo-2-fluorophenoxy)pyrrolidine-1,2-dicarboxylate (CAS 2442510-51-0)
- 1-(Tert-butyl) 2-methyl (2S,4S)-4-(5-bromo-2-fluorophenoxy)pyrrolidine-1,2-dicarboxylate (CAS 2442510-50-9)
- Dimethyl 5-(3,4-dichlorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2,2-dioxide (CAS 107124-27-6)
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