(3S,4S)-1-(tert-butoxycarbonyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid CAS 2089650-63-3
| CAS No. | 2089650-63-3 |
| Molecular Formula | C12H18F3NO4 |
| Molecular Weight | 297.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (3S,4S)-1-(tert-butoxycarbonyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid.
CATO supplies (3S,4S)-1-(tert-butoxycarbonyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid (CAS 2089650-63-3), a certified reference material (molecular formula C12H18F3NO4, MW 297.27 g/mol) for analytical method development and quality control.
Based on its molecular formula C12H18F3NO4, (3S,4S)-1-(tert-butoxycarbonyl)-4-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 297.27 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C12H18F3NO4 |
| Molecular Weight | 297.27 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (2R,4S)-1-(tert-Butoxycarbonyl)-4-(trifluoromethyl)piperidine-2-carboxylic acid (CAS 2378490-61-8)
- (E)-7-benzylidene-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydrobenzo[c]isoxazol-3-ol (CAS 479499-03-1)
- (2R,3R,4R,5R)-2-(2-Amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (CAS 34793-34-5)
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- Semaglutide Impurity 146 (CAS 2645421-68-5)
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