1,3-Diethyl 2-({4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}methyl)-2-acetamidopropanedioate CAS 439108-33-5
| CAS No. | 439108-33-5 |
| Molecular Formula | C23H25ClFNO6 |
| Molecular Weight | 465.90 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.
1,3-Diethyl 2-({4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}methyl)-2-acetamidopropanedioate (CAS 439108-33-5), molecular formula C23H25ClFNO6 and molecular weight 465.90 g/mol, is a CATO reference standard with documented purity and traceability.
1,3-Diethyl 2-({4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}methyl)-2-acetamidopropanedioate (C23H25ClFNO6) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. 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 | C23H25ClFNO6 |
| Molecular Weight | 465.90 g/mol |
| Appearance | Pale yellow to 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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