(S)-tert-Butyl 2-(((benzyloxy)carbonyl)-amino)-3-(4-nitrophenyl)propanoate CAS 869882-71-3
| CAS No. | 869882-71-3 |
| Molecular Formula | C21H24N2O6 |
| Molecular Weight | 400.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (S)-tert-Butyl 2-(((benzyloxy)carbonyl)-amino)-3-(4-nitrophenyl)propanoate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(S)-tert-Butyl 2-(((benzyloxy)carbonyl)-amino)-3-(4-nitrophenyl)propanoate (CAS 869882-71-3), molecular formula C21H24N2O6 and molecular weight 400.43 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (S)-tert-Butyl 2-(((benzyloxy)carbonyl)-amino)-3-(4-nitrophenyl)propanoate (C21H24N2O6) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 400.43 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C21H24N2O6 |
| Molecular Weight | 400.43 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
Recommended Standards
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- 3,6-Dimethoxy-6-(4-methoxyphenyl)-6H-chromeno[3,4-b]quinoxaline (CAS 1807-99-4)
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- 1-(4-Bromobenzyl)-1-(2-hydroxyhexyl)-4-phenylpiperidin-1-ium bromide (CAS 1025707-79-2)
- 2-(Bromomethyl)benzo[d]oxazole-7-acrylic acid (CAS 1803425-35-5)
- (D-His1)-Exenatide trifluoroacetate salt (CAS 1678417-09-8)
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