tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-methylsulfonylpyrimidin-5-yl]-(3R,5S)-isopropylidene-(E)-6-heptenoate CAS 849470-63-9
| CAS No. | 849470-63-9 |
| Molecular Formula | C28H37FN2O6S |
| Molecular Weight | 548.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-methylsulfonylpyrimidin-5-yl]-(3R,5S)-isopropylidene-(E)-6-heptenoate (CAS 849470-63-9), molecular formula C28H37FN2O6S and molecular weight 548.67 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C28H37FN2O6S, tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-methylsulfonylpyrimidin-5-yl]-(3R,5S)-isopropylidene-(E)-6-heptenoate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 548.67 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
As a certified reference material (CRM), tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-methylsulfonylpyrimidin-5-yl]-(3R,5S)-isopropylidene-(E)-6-heptenoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C28H37FN2O6S |
| Molecular Weight | 548.67 g/mol |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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