Methyl 3-oxo-4-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-7-carboxylate CAS 1707393-89-2
| CAS No. | 1707393-89-2 |
| Molecular Formula | C13H12F3NO4 |
| Molecular Weight | 303.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Methyl 3-oxo-4-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-7-carboxylate (C13H12F3NO4) is characterized by a nitrogen-containing heterocyclic scaffold, an amide 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies Methyl 3-oxo-4-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-7-carboxylate (CAS 1707393-89-2), a certified reference material (molecular formula C13H12F3NO4, MW 303.23 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H12F3NO4 |
| Molecular Weight | 303.23 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 |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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