7-Benzyl 1-(tert-butyl) (4aS,9aS)-octahydro-1H-pyrazino[2,3-d]azepine-1,7(2H)-dicarboxylate CAS 1251004-30-4
| CAS No. | 1251004-30-4 |
| Molecular Formula | C21H31N3O4 |
| Molecular Weight | 389.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 7-Benzyl 1-(tert-butyl) (4aS,9aS)-octahydro-1H-pyrazino[2,3-d]azepine-1,7(2H)-dicarboxylate 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.
7-Benzyl 1-(tert-butyl) (4aS,9aS)-octahydro-1H-pyrazino[2,3-d]azepine-1,7(2H)-dicarboxylate (CAS 1251004-30-4), molecular formula C21H31N3O4 and molecular weight 389.49 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, 7-Benzyl 1-(tert-butyl) (4aS,9aS)-octahydro-1H-pyrazino[2,3-d]azepine-1,7(2H)-dicarboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 389.49 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), 7-Benzyl 1-(tert-butyl) (4aS,9aS)-octahydro-1H-pyrazino[2,3-d]azepine-1,7(2H)-dicarboxylate 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 | C21H31N3O4 |
| Molecular Weight | 389.49 g/mol |
| Appearance | Pale yellow to 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 3 |
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- Semaglutide impurity 48 (CAS CATO-C4X-222648)
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