5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(4-methoxyphenyl)-2-methyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione CAS 317833-31-1
| CAS No. | 317833-31-1 |
| Molecular Formula | C21H20ClF3N4O4 |
| Molecular Weight | 484.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(4-methoxyphenyl)-2-methyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 317833-31-1) is a high-purity analytical reference standard with the molecular formula C21H20ClF3N4O4 and a molecular weight of 484.86 g/mol.
Structurally, 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(4-methoxyphenyl)-2-methyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (C21H20ClF3N4O4) 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 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 484.86 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C21H20ClF3N4O4 |
| Molecular Weight | 484.86 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related chloro Standards
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Recommended Standards
- 3-{[(4-bromophenyl)methanesulfinyl]methyl}-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole (CAS 344275-16-7)
- Lenvatinib Impurity 157 (CAS CATO-C4X-1140157)
- 3,4,5-Triiodo-2,6-dimethylpyridine (CAS 98549-80-5)
- 1,2-Ditetradecyl-sn-glycerol (CAS 36314-51-9)
- Tert-butyl 4-(6-chloropyridin-2-yl)piperazine-1-carboxylate (CAS 1239369-20-0)
- N-(2-Acetylbenzofuran-3-yl)-4-methylbenzenesulfonamide (CAS 94511-08-7)
- 1-(2-Hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile (CAS 1849407-91-5)
- Methyl (E)-5-(2-(4-((4-chlorophenyl)thio)-3-(2,6-dichlorophenyl)isoxazolo[4,5-c]pyridin-7-yl)vinyl)-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate (CAS 338773-22-1)
- 3-(Difluorophenylmethyl)pyridine (CAS 1204296-11-6)
- 4-Acetamidophenyl 2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)acetate (CAS 672950-99-1)
- 7-Chloro-2-(2,5-dimethylphenyl)-8-methylquinoline-4-carboxylic acid (CAS 724749-36-4)
- 1-(Bromomethyl)-1-propoxycyclopentane (CAS 1250619-37-4)
- Methyl 5-amino-4-(6-methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-((methylsulfonyl)methyl)benzoate (CAS 2313230-44-1)
- Tau Peptide (244-274) (Repeat 1 Domain) trifluoroacetate salt (CAS 330456-24-1)
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