5'-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone CAS 338772-51-3
| CAS No. | 338772-51-3 |
| Molecular Formula | C19H18ClF3N4O5 |
| Molecular Weight | 474.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 5'-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-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.
5'-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone (CAS 338772-51-3) is a high-purity analytical reference standard with the molecular formula C19H18ClF3N4O5 and a molecular weight of 474.82 g/mol.
The molecular framework of 5'-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,4-dimethyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone (C19H18ClF3N4O5) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C19H18ClF3N4O5 |
| Molecular Weight | 474.82 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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Recommended Standards
- 4,4,13,13-Tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane (CAS 56706-10-6)
- Octyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate (CAS 355419-77-1)
- Afatinib Impurity 84 (CAS CATO-C4X-100684)
- Corapan-[d34] (CAS 1261394-05-1)
- 6-Hydroxy Bromantane (CAS 1007310-57-7)
- Tert-butyl 3-(((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)methyl)piperidine-1-carboxylate (CAS 1417793-54-4)
- 2-Nitro-1-tosyl-4-(trifluoromethyl)benzene (CAS 127291-63-8)
- Cyclododecanethiol (CAS 7447-11-2)
- 3-(Chloromethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide (CAS 1123169-42-5)
- Magnesium Ascorbyl Phosphate (CAS 23666-04-8)
- (+)-1-Phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-b]-7-methylquinolin-4-one (+)-Blebbistatin (3aR)-1,2,3,3a-Tetrahydro-3a-hydroxy-6-methyl-1-phenyl-4H-pyrrolo[2,3-b]quinolin-4-one (R)-(+)-Blebbistatin 1177356-70-5 (CAS 1177356-70-5)
- [(3R,4R)-4-Ethylpyrrolidin-3-yl]methanol (CAS 2227199-24-6)
- 2-(Bromomethyl)-3-(2-chloropyridin-3-yl)quinazolin-4(3H)-one (CAS 88369-54-4)
- Semaglutide impurity 50 (CAS 2773558-66-8)
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