Tert-butyl 4-(2-nitro-4-(trifluoromethyl)phenyl)-1,4-diazepane-1-carboxylate CAS 306934-72-5
| CAS No. | 306934-72-5 |
| Molecular Formula | C17H22F3N3O4 |
| Molecular Weight | 389.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Tert-butyl 4-(2-nitro-4-(trifluoromethyl)phenyl)-1,4-diazepane-1-carboxylate (C17H22F3N3O4) contains a flavonoid core, an amide 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.
Tert-butyl 4-(2-nitro-4-(trifluoromethyl)phenyl)-1,4-diazepane-1-carboxylate (CAS 306934-72-5) is a high-purity analytical reference standard with the molecular formula C17H22F3N3O4 and a molecular weight of 389.37 g/mol.
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-(2-nitro-4-(trifluoromethyl)phenyl)-1,4-diazepane-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 | C17H22F3N3O4 |
| Molecular Weight | 389.37 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 DMSO, DMF, methanol |
| 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
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