Methyl (2S,4S)-4-(4-bromo-2-nitrophenoxy)-2-pyrrolidinecarboxylate hydrochloride CAS 1354487-69-6
| CAS No. | 1354487-69-6 |
| Molecular Formula | C12H13BrN2O5 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 381.61 g/mol gives Methyl (2S,4S)-4-(4-bromo-2-nitrophenoxy)-2-pyrrolidinecarboxylate hydrochloride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl (2S,4S)-4-(4-bromo-2-nitrophenoxy)-2-pyrrolidinecarboxylate hydrochloride (CAS 1354487-69-6) is a high-purity analytical reference standard with the molecular formula C12H13BrN2O5HCl and a molecular weight of 381.61 g/mol.
The molecular framework of Methyl (2S,4S)-4-(4-bromo-2-nitrophenoxy)-2-pyrrolidinecarboxylate hydrochloride (C12H13BrN2O5HCl) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine/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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C12H13BrN2O5 HCl |
| Molecular Weight | 381.61 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 3-(2,4-Difluorophenyl)-3-hydroxypropanenitrile (CAS 1513866-21-1)
- 3-Chloro-5-methyl-2-oxohexanoic acid (CAS 90012-68-3)
- Crassicauline A (CAS 79592-91-9)
- 3,4,3'-Trimethyl-1,1'-biphenyl (CAS 1207-89-2)
- 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2,6-dimethylphenyl)piperazine (CAS 860784-30-1)
- (Morpholine-4-carbonyl)-L-leucine (CAS 129739-09-9)
- 1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane (CAS 112193-80-3)
- 2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS 941594-62-3)
- 3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperidine hydrochloride (CAS 1423031-86-0)
- Semaglutide Impurity 122 (CAS CATO-C4X-2226122)
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