5'-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone CAS 338410-30-3
| CAS No. | 338410-30-3 |
| Molecular Formula | C20H20ClF3N4O5 |
| Molecular Weight | 488.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5'-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 5'-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone (CAS 338410-30-3), a certified reference material (molecular formula C20H20ClF3N4O5, MW 488.84 g/mol) for analytical method development and quality control.
5'-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone (C20H20ClF3N4O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5'-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone 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 | C20H20ClF3N4O5 |
| Molecular Weight | 488.84 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) | 11.0 |
| 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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- (E)-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](phenyl)methylidene}amino N-(2,4-dichlorophenyl)carbamate (CAS 338953-43-8)
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- (E)-[1-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)ethylidene]amino N-(4-chlorophenyl)carbamate (CAS 321432-66-0)
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Recommended Standards
- 1,1-Dioctyl-3-(3-(triethoxysilyl)propyl)urea (CAS 259727-10-1)
- 4-{4-[(benzoyloxy)imino]piperidino}-8-chloro-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxaline (CAS 400089-14-7)
- (E)-[(4-Chlorophenyl)methoxy]({1-[5-(trifluoromethyl)-3-[3-(trifluoromethyl)phenoxy]pyridin-2-yl]ethylidene})amine (CAS 866132-28-7)
- Ethyl 1-(4-chlorophenyl)-3-methyl-4-((3-(trifluoromethyl)benzyl)amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 866132-88-9)
- 5-Chloro-2-methoxypyridine-4-boronic Acid (CAS 475275-69-5)
- 5,6'-Dibromo-3,3'-bipyridine (CAS 942206-15-7)
- 4-Bromo-6-fluoro-1,3-dihydro-2H-benzo[d]imidazol-2-one (CAS 1239720-16-1)
- [6-(2-ethoxyphenoxy)pyridin-3-yl]methanamine (CAS 954575-99-6)
- Methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate (CAS 856169-07-8)
- 4-(4-Bromophenyl)-2-methylthiomorpholine-3,5-dione 1-oxide (CAS 339097-17-5)
- 1-Isopropoxy-4-vinylbenzene (CAS 128761-28-4)
- N-(5-Methyl-2-oxo-2,3-dihydropyrimidin-4-yl)benzamide (CAS 126354-30-1)
- 1-(2-chloro-4-iodo-phenyl)hexahydropyrimidine-2,4-dione (CAS 1692441-88-5)
- [β-Asp]9-Semaglutide (CAS CATO-CPTD788605)
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