tert-butyl (3S)-4-(5-bromo-6-chloro-pyridine-3-carbonyl)-3-methyl-piperazine-1-carboxylate CAS 2253768-43-1
| CAS No. | 2253768-43-1 |
| Molecular Formula | C16H21BrClN3O3 |
| Molecular Weight | 418.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of tert-butyl (3S)-4-(5-bromo-6-chloro-pyridine-3-carbonyl)-3-methyl-piperazine-1-carboxylate (C16H21BrClN3O3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
tert-butyl (3S)-4-(5-bromo-6-chloro-pyridine-3-carbonyl)-3-methyl-piperazine-1-carboxylate (CAS 2253768-43-1), molecular formula C16H21BrClN3O3 and molecular weight 418.71 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.
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.
Physical & Chemical Properties
| Molecular Formula | C16H21BrClN3O3 |
| Molecular Weight | 418.71 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; 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.) | 1998 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
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