tert-butyl 3,3-difluoro-4,5-dihydro-2H-azepine-1-carboxylate CAS 2816914-36-8
| CAS No. | 2816914-36-8 |
| Molecular Formula | C11H17F2NO2 |
| Molecular Weight | 233.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of tert-butyl 3,3-difluoro-4,5-dihydro-2H-azepine-1-carboxylate (C11H17F2NO2) 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
tert-butyl 3,3-difluoro-4,5-dihydro-2H-azepine-1-carboxylate (CAS 2816914-36-8) is a high-purity analytical reference standard with the molecular formula C11H17F2NO2 and a molecular weight of 233.25 g/mol.
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 | C11H17F2NO2 |
| Molecular Weight | 233.25 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 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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