Ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate CAS 321998-78-1
| CAS No. | 321998-78-1 |
| Molecular Formula | C21H20ClF3N4O5 |
| Molecular Weight | 500.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate (CAS 321998-78-1), molecular formula C21H20ClF3N4O5 and molecular weight 500.86 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate (C21H20ClF3N4O5) 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 500.86 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.
As a certified reference material (CRM), Ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate 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 | C21H20ClF3N4O5 |
| Molecular Weight | 500.86 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 |
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Recommended Standards
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- Poly(9,9-di-n-dodecylfluorenyl-2,7-diyl) (CAS 248256-53-3)
- 6-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile (CAS 94856-52-7)
- 2-(Difluoromethyl)-4,5-difluoropyridin-3-ol (CAS 1804453-95-9)
- 3-(Trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one (CAS 1030857-28-3)
- 6-Hydroxy-2,5,7-trimethyl-1,3-diazaadamantane-2-carboxylic acid (CAS 1023815-25-9)
- 6-Bromo-8-chloroquinazolin-2(1H)-one (CAS 1036755-78-8)
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- 3-Methyl-2-(pyrrolidin-1-yl)-5-(pyrrolidin-2-yl)pyridine (CAS 1352499-42-3)
- 3-Methyl-5-(2-methylphenyl)-1,2,4-oxadiazole (CAS 1119448-03-1)
- Carisbamate (RWJ-333369) (CAS 194085-75-1)
- Dulaglutide (CAS 923950-08-7)
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