Ethyl (3R,4S)-1-benzyl-4-(2-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate CAS 2325993-44-8
| CAS No. | 2325993-44-8 |
| Molecular Formula | C21H22F3NO2 |
| Molecular Weight | 377.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Ethyl (3R,4S)-1-benzyl-4-(2-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate (CAS 2325993-44-8), a certified reference material (molecular formula C21H22F3NO2, MW 377.40 g/mol) for analytical method development and quality control.
Ethyl (3R,4S)-1-benzyl-4-(2-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate (C21H22F3NO2) 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.
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 | C21H22F3NO2 |
| Molecular Weight | 377.40 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 4-Bromo-2-chloro-3-iodo-1-(methoxymethoxy)benzene (CAS 2221812-31-1)
- Ethyl 1-benzyl-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate (CAS 915390-53-3)
- 3-[2-(Diethylamino)Ethoxy]-1-[3-(Trifluoromethyl)Phenyl]-1H-Indazole (CAS 21487-13-8)
- N'-(4-Isopropylbenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide (CAS 302918-49-6)
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