| CAS No. | 1354485-75-8 |
| Molecular Formula | C16H19BrClNO5 |
| Molecular Weight | 420.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of (2S,4S)-4-(4-bromo-2-chlorophenoxy)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(2S,4S)-4-(4-bromo-2-chlorophenoxy)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS 1354485-75-8), molecular formula C16H19BrClNO5 and molecular weight 420.68 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, (2S,4S)-4-(4-bromo-2-chlorophenoxy)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 420.68 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
| Molecular Formula | C16H19BrClNO5 |
| Molecular Weight | 420.68 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.) | 1991 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |