O1-tert-butyl O3-methyl 3-fluoroazepane-1,3-dicarboxylate CAS 2112733-55-6
| CAS No. | 2112733-55-6 |
| Molecular Formula | C13H22FNO4 |
| Molecular Weight | 275.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including O1-tert-butyl O3-methyl 3-fluoroazepane-1,3-dicarboxylate.
O1-tert-butyl O3-methyl 3-fluoroazepane-1,3-dicarboxylate (CAS 2112733-55-6), molecular formula C13H22FNO4 and molecular weight 275.32 g/mol, is a CATO reference standard with documented purity and traceability.
O1-tert-butyl O3-methyl 3-fluoroazepane-1,3-dicarboxylate (C13H22FNO4) contains an amide group, a carboxylic acid 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. 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.
As a certified reference material (CRM), O1-tert-butyl O3-methyl 3-fluoroazepane-1,3-dicarboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H22FNO4 |
| Molecular Weight | 275.32 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, 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 |
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