3,3-Dimethyl 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate CAS 321433-42-5
| CAS No. | 321433-42-5 |
| Molecular Formula | C16H14ClF3N4O7 |
| Molecular Weight | 466.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 466.75 g/mol gives 3,3-Dimethyl 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3,3-Dimethyl 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate (CAS 321433-42-5), a certified reference material (molecular formula C16H14ClF3N4O7, MW 466.75 g/mol) for analytical method development and quality control.
Structurally, 3,3-Dimethyl 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate (C16H14ClF3N4O7) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 466.75 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C16H14ClF3N4O7 |
| Molecular Weight | 466.75 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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