(S)-Ethyl 3-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoate CAS 591249-54-6
| CAS No. | 591249-54-6 |
| Molecular Formula | C16H22BrNO4 |
| Molecular Weight | 372.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (S)-Ethyl 3-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoate.
CATO supplies (S)-Ethyl 3-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoate (CAS 591249-54-6), a certified reference material (molecular formula C16H22BrNO4, MW 372.25 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution, (S)-Ethyl 3-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 372.25 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), (S)-Ethyl 3-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)propanoate 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 | C16H22BrNO4 |
| Molecular Weight | 372.25 g/mol |
| Appearance | Off-white to pale 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Benzyl (R)-4-bromo-3-((tert-butoxycarbonyl)amino)butanoate (CAS 1932491-99-0)
- [2-({2-[(2-phosphonophenyl)amino]ethyl}amino)phenyl]phosphonic acid (CAS 378764-22-8)
- Ethyl 3-bromo-N-(tert-butoxycarbonyl)phenylalaninate (CAS 1922702-02-0)
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