(S)-tert-Butyl 2-((4-chloro-2-fluoro-5-((3-phenylprop-2-yn-1-yl)oxy)phenyl)carbamoyl)pyrrolidine-1-carboxylate CAS 1464137-29-8
| CAS No. | 1464137-29-8 |
| Molecular Formula | C25H26ClFN2O4 |
| Molecular Weight | 472.94 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(S)-tert-Butyl 2-((4-chloro-2-fluoro-5-((3-phenylprop-2-yn-1-yl)oxy)phenyl)carbamoyl)pyrrolidine-1-carboxylate (CAS 1464137-29-8) is a high-purity analytical reference standard with the molecular formula C25H26ClFN2O4 and a molecular weight of 472.94 g/mol.
(S)-tert-Butyl 2-((4-chloro-2-fluoro-5-((3-phenylprop-2-yn-1-yl)oxy)phenyl)carbamoyl)pyrrolidine-1-carboxylate (C25H26ClFN2O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C25H26ClFN2O4 |
| Molecular Weight | 472.94 g/mol |
| Appearance | Pale yellow to 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
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- Capivasertib Impurity 29 (CAS CATO-C4X-331229)
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