Ethyl 5-((tert-butoxycarbonyl)amino)-3-oxo-2-(trifluoromethyl)pentanoate CAS 2138558-71-9
| CAS No. | 2138558-71-9 |
| Molecular Formula | C13H20F3NO5 |
| Molecular Weight | 327.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Ethyl 5-((tert-butoxycarbonyl)amino)-3-oxo-2-(trifluoromethyl)pentanoate (CAS 2138558-71-9), a certified reference material (molecular formula C13H20F3NO5, MW 327.30 g/mol) for analytical method development and quality control.
Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, Ethyl 5-((tert-butoxycarbonyl)amino)-3-oxo-2-(trifluoromethyl)pentanoate is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 327.30 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
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 | C13H20F3NO5 |
| Molecular Weight | 327.30 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 |
| 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
- Ethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 478261-52-8)
- N-(2,4-difluorophenyl)-N-(phenylsulfonyl)glycine (CAS 866049-11-8)
- Ethyl 2-(6-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetate (CAS 938002-48-3)
- N-[3-(1H-Imidazol-1-yl)propyl]-4-(2,2,2-trifluoroethoxy)benzamide (CAS 866153-64-2)
- 2-[6-(2-Chlorophenyl)pyridin-2-yl]acetonitrile (CAS 1822833-27-1)
- 2-(Dimethylamino)isonicotinohydrazide (CAS 77314-49-9)
- 3-(4-(Tert-butyl)phenyl)-1,2,4-oxadiazole-5-carbaldehyde (CAS 1143521-17-8)
- 8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 55944-38-2)
- 3-Amino-2-bromo-6-(trifluoromethyl)pyridine (CAS 117519-16-1)
- 4,7-Difluoro-2,3-dihydro-1H-isoindole (CAS 850876-27-6)
- 2-(2-Chloro-6-fluorophenyl)nicotinonitrile (CAS 1213704-91-6)
- N-(1-(3-(Thiophen-3-yl)-1,2,4-oxadiazol-5-yl)cyclohexyl)quinoline-2-carboxamide (CAS 1396766-82-7)
- 2-(2-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,3-benzodiazol-1-yl)-N-phenylacetamide (CAS 344279-96-5)
- Fibrinogen-Binding Peptide (CAS 137235-80-4)
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