(4S,7R,9aS)-4-((tert-Butoxycarbonyl)amino)-5-oxooctahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxylic acid CAS 161597-58-6
| CAS No. | 161597-58-6 |
| Molecular Formula | C14H22N2O6 |
| Molecular Weight | 314.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), (4S,7R,9aS)-4-((tert-Butoxycarbonyl)amino)-5-oxooctahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxylic acid 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.
CATO supplies (4S,7R,9aS)-4-((tert-Butoxycarbonyl)amino)-5-oxooctahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxylic acid (CAS 161597-58-6), a certified reference material (molecular formula C14H22N2O6, MW 314.33 g/mol) for analytical method development and quality control.
The molecular framework of (4S,7R,9aS)-4-((tert-Butoxycarbonyl)amino)-5-oxooctahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxylic acid (C14H22N2O6) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. 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. 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.
Physical & Chemical Properties
| Molecular Formula | C14H22N2O6 |
| Molecular Weight | 314.33 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Nitrogen Atoms | 2 |
Recommended Standards
- (4S,7S,9aS)-4-((tert-Butoxycarbonyl)amino)-5-oxooctahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxylic acid (CAS 161528-26-3)
- (2S)-2-(5-Tert-butoxycarbonyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxy-propanoic acid (CAS 1621435-34-4)
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