tert-Butyl-4-oxo-5-(trifluoromethyl)azepane-1-carboxylate CAS 1393584-90-1
| CAS No. | 1393584-90-1 |
| Molecular Formula | C12H18F3NO3 |
| Molecular Weight | 281.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 281.27 g/mol gives tert-Butyl-4-oxo-5-(trifluoromethyl)azepane-1-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
tert-Butyl-4-oxo-5-(trifluoromethyl)azepane-1-carboxylate (CAS 1393584-90-1) is a high-purity analytical reference standard with the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol.
The molecular framework of tert-Butyl-4-oxo-5-(trifluoromethyl)azepane-1-carboxylate (C12H18F3NO3) 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 its high hydrophobicity (logP), 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures tert-Butyl-4-oxo-5-(trifluoromethyl)azepane-1-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H18F3NO3 |
| Molecular Weight | 281.27 g/mol |
| Appearance | 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 chloroform, dichloromethane, ethyl acetate, 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.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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Why CATO?
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