2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-d2[Aprepitant-M2-d2] CAS 1217645-68-5
| CAS No. | 1217645-68-5 |
| Molecular Formula | C20H18F7NO2 |
| Molecular Weight | 437.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-d2[Aprepitant-M2-d2] (CAS 1217645-68-5), molecular formula C20H18F7NO2 and molecular weight 437.35 g/mol, is a CATO reference standard with documented purity and traceability.
2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine-d2[Aprepitant-M2-d2] (C20H18F7NO2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H18F7NO2 |
| Molecular Weight | 437.35 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Pentafluorophenyl 2-(morpholin-4-ylsulphonyl)benzoate (CAS 950603-27-7)
- Aprepitant impurity 01 (CAS 171338-27-5)
- 1,1-Bis(4-chlorophenyl)-2-(4-methoxybenzenesulfonyl)ethan-1-ol (CAS 337919-97-8)
- 2-((6-Bromo-3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 786726-44-1)
- 6,8-Dibromo-3-iodoimidazo[1,2-a]pyrazine, 97% (CAS 1351373-56-2)
- Ethyl 4-bromo-3-cyano-5-hydroxybenzoate (CAS 1805525-09-0)
- 3-Methoxy-2-(oxiran-2-ylmethoxy)benzonitrile (CAS 35198-39-1)
- (S)-(+)-Carvone (CAS 2244-16-8)
- 2-Chloro-3-ethynyl-6-methylpyridine (CAS 1256794-73-6)
- Calcium Dobesilate Impurity 24 (CAS CATO-C4X-205124)
- 1-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-N-((1-propyl-1H-pyrazol-4-yl)methyl)methanamine hydrochloride (CAS 1856063-99-4)
- Erythromycin Ethyl Succinate (CAS 1264-62-6)
- Methyl 4-bromo-3,5-dimethylthiophene-2-carboxylate (CAS 928044-46-6)
- Semaglutide impurity 81 (CAS CATO-C4X-222681)
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