1-(Tert-butyl) 3-methyl 3-(fluoromethyl)azetidine-1,3-dicarboxylate CAS 2115907-97-4
| CAS No. | 2115907-97-4 |
| Molecular Formula | C11H18FNO4 |
| Molecular Weight | 247.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 247.26 g/mol gives 1-(Tert-butyl) 3-methyl 3-(fluoromethyl)azetidine-1,3-dicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-(Tert-butyl) 3-methyl 3-(fluoromethyl)azetidine-1,3-dicarboxylate (CAS 2115907-97-4), molecular formula C11H18FNO4 and molecular weight 247.26 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(Tert-butyl) 3-methyl 3-(fluoromethyl)azetidine-1,3-dicarboxylate (C11H18FNO4) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C11H18FNO4 |
| Molecular Weight | 247.26 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 sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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
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