tert-Butyl 4-[6-(3-bromophenyl)-3-cyanopyridin-2-yl]-1,4-diazepane-1-carboxylate CAS 946385-54-2
| CAS No. | 946385-54-2 |
| Molecular Formula | C22H25BrN4O2 |
| Molecular Weight | 457.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 4-[6-(3-bromophenyl)-3-cyanopyridin-2-yl]-1,4-diazepane-1-carboxylate (CAS 946385-54-2), molecular formula C22H25BrN4O2 and molecular weight 457.36 g/mol, is a CATO reference standard with documented purity and traceability.
tert-Butyl 4-[6-(3-bromophenyl)-3-cyanopyridin-2-yl]-1,4-diazepane-1-carboxylate (C22H25BrN4O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), tert-Butyl 4-[6-(3-bromophenyl)-3-cyanopyridin-2-yl]-1,4-diazepane-1-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H25BrN4O2 |
| Molecular Weight | 457.36 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
- N-(4-(5-Bromothiophen-2-yl)thiazol-2-yl)-2-phenoxybenzamide (CAS 330836-71-0)
- Terbutaline Impurity 89 (CAS CATO-C4X-118389)
- WIN 54461 (CAS 166599-63-9)
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- 4-Nitro-1-[(oxolan-2-yl)methyl]-1h-pyrazole (CAS 1006523-68-7)
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- 2-(4-Methoxyphenyl)-1,5,6-triphenylpyrimidin-4(1H)-one (CAS 88317-20-8)
- 4-(Boc-amino)benzylamine (CAS 220298-96-4)
- 2-((1S,2R,3S)-3-Methyl-2-(nitromethyl)-5-oxocyclopentyl)acetic acid (CAS 123000-45-3)
- (3R,4S)-4-fluoropiperidin-3-ol (CAS 1638767-20-0)
- N-(2,2,2-trifluoroethyl)cyclohexanamine (CAS 917771-47-2)
- 5-(2,4-Dichlorophenyl)-4h-1,2,4-triazol-3-amine (CAS 168893-49-0)
- Semaglutide impurity 75 (CAS CATO-C4X-222675)
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