tert-Butyl 3-(2-ethoxy-1-fluoro-2-oxoethylidene)-piperidine-1-carboxylate CAS 878590-43-3
| CAS No. | 878590-43-3 |
| Molecular Formula | C14H22FNO4 |
| Molecular Weight | 287.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 3-(2-ethoxy-1-fluoro-2-oxoethylidene)-piperidine-1-carboxylate (CAS 878590-43-3) is a high-purity analytical reference standard with the molecular formula C14H22FNO4 and a molecular weight of 287.33 g/mol.
tert-Butyl 3-(2-ethoxy-1-fluoro-2-oxoethylidene)-piperidine-1-carboxylate (C14H22FNO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C14H22FNO4 |
| Molecular Weight | 287.33 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- racemic-(3R,6R)-2-tert-Butyl 3-ethyl 6-fluoro-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate (CAS 2197189-53-8)
- tert-Butyl 4-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate (CAS 672957-85-6)
- O8-tert-butyl O3-methyl 3-fluoro-8-azabicyclo[3.2.1]octane-3,8-dicarboxylate (CAS 2120990-02-3)
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