tert-Butyl 4-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)formamido]methyl}phenyl)piperazine-1-carboxylate CAS 860648-73-3
| CAS No. | 860648-73-3 |
| Molecular Formula | C21H26Br2N4O3 |
| Molecular Weight | 542.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
tert-Butyl 4-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)formamido]methyl}phenyl)piperazine-1-carboxylate (CAS 860648-73-3) is a high-purity analytical reference standard with the molecular formula C21H26Br2N4O3 and a molecular weight of 542.26 g/mol.
Based on its molecular formula C21H26Br2N4O3, tert-Butyl 4-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)formamido]methyl}phenyl)piperazine-1-carboxylate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 542.26 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C21H26Br2N4O3 |
| Molecular Weight | 542.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
- 2,5-Bis(4-bromophenyl)-3,4-diphenylcyclopenta-2,4-dienone (CAS 54523-24-9)
- Ambroxol Impurity 88 (CAS CATO-C4X-108588)
- 4-([1,1'-Biphenyl]-4-yl)-6-(3,5-dibromophenyl)-2-phenylpyrimidine (CAS 1393350-29-2)
- Ambroxol Impurity 89 (CAS CATO-C4X-108589)
- N-(4-(phenylethynyl)phenyl)thiophene-2-carboxamide (CAS 439095-69-9)
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- 7-Amino-2,2,4-trimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 1082195-25-2)
- 6-Isopropoxyimidazo[1,2-a]pyridine (CAS 1394935-07-9)
- Carbazochrome Impurity 14 (CAS CATO-C4X-229114)
- 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one (CAS 5037-63-8)
- 4-Bromo-3-chloro-2-methylphenylisothiocyanate (CAS 886501-25-3)
- (4-Amino-2-chlorophenyl)(morpholino)methanone (CAS 926201-77-6)
- 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanoic acid (CAS 875164-21-9)
- [3-31]-Semaglutide D (Sodium salt) (CAS CATO-C4X-2226119)
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