3-tert-Butyl-4-(4-fluorobenzenesulfonyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine CAS 478048-84-9
| CAS No. | 478048-84-9 |
| Molecular Formula | C19H22FNO3S |
| Molecular Weight | 363.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 363.45 g/mol gives 3-tert-Butyl-4-(4-fluorobenzenesulfonyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-tert-Butyl-4-(4-fluorobenzenesulfonyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine (CAS 478048-84-9), molecular formula C19H22FNO3S and molecular weight 363.45 g/mol, is a CATO reference standard with documented purity and traceability.
3-tert-Butyl-4-(4-fluorobenzenesulfonyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine (C19H22FNO3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C19H22FNO3S |
| Molecular Weight | 363.45 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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