tert-Butyl (S)-3-(2,5-difluorophenyl)piperazine-1-carboxylate CAS 1228559-49-6
| CAS No. | 1228559-49-6 |
| Molecular Formula | C15H20F2N2O2 |
| Molecular Weight | 298.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies tert-Butyl (S)-3-(2,5-difluorophenyl)piperazine-1-carboxylate (CAS 1228559-49-6), a certified reference material (molecular formula C15H20F2N2O2, MW 298.33 g/mol) for analytical method development and quality control.
tert-Butyl (S)-3-(2,5-difluorophenyl)piperazine-1-carboxylate (C15H20F2N2O2) 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, 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C15H20F2N2O2 |
| Molecular Weight | 298.33 g/mol |
| Appearance | Off-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 DMSO, DMF, methanol |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- tert-Butyl (S)-3-(2,4-difluorophenyl)piperazine-1-carboxylate (CAS 1228558-90-4)
- tert-Butyl (R)-3-(2,5-difluorophenyl)piperazine-1-carboxylate (CAS 1228565-80-7)
- 2-{(1S)-1-[(tert-Butoxycarbonyl)amino]-3-methylbutyl}-1,3-oxazole-4-carboxylic acid (CAS 1217693-13-4)
- tert-Butyl (S)-3-(2,3-difluorophenyl)piperazine-1-carboxylate (CAS 1228566-07-1)
- 2-((1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexyl)acetic acid (CAS 1934285-97-8)
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