Tert-Butyl 4-(5-Bromo-1H-Benzo[D]Imidazol-1-Yl)Azepane-1-Carboxylate CAS 1251017-90-9
| CAS No. | 1251017-90-9 |
| Molecular Formula | C18H24BrN3O2 |
| Molecular Weight | 394.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Tert-Butyl 4-(5-Bromo-1H-Benzo[D]Imidazol-1-Yl)Azepane-1-Carboxylate (CAS 1251017-90-9), a certified reference material (molecular formula C18H24BrN3O2, MW 394.31 g/mol) for analytical method development and quality control.
The molecular framework of Tert-Butyl 4-(5-Bromo-1H-Benzo[D]Imidazol-1-Yl)Azepane-1-Carboxylate (C18H24BrN3O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine 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).
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 | C18H24BrN3O2 |
| Molecular Weight | 394.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- Tert-butyl 4-(6-bromo-1H-benzo[d]imidazol-1-yl)azepane-1-carboxylate (CAS 1251017-58-9)
- tert-Butyl 4-((2,4-dichlorophenyl)sulfonyl)piperidine-1-carboxylate (CAS 1417793-94-2)
- (S)-tert-Butyl (1-(5-(4-bromophenyl)-1H-imidazol-2-yl)-2-methylpropyl)carbamate (CAS 1087346-51-7)
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