(1R,3s,5S)-tert-Butyl 3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate CAS 478866-37-4
| CAS No. | 478866-37-4 |
| Molecular Formula | C12H20FNO2 |
| Molecular Weight | 229.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 229.29 g/mol gives (1R,3s,5S)-tert-Butyl 3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(1R,3s,5S)-tert-Butyl 3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS 478866-37-4) is a high-purity analytical reference standard with the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol.
Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, (1R,3s,5S)-tert-Butyl 3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 229.29 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C12H20FNO2 |
| Molecular Weight | 229.29 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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