2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine phthalate CAS 97884-98-5
| CAS No. | 97884-98-5 |
| Molecular Formula | C8H6O4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine phthalate (CAS 97884-98-5) is a high-purity analytical reference standard with the molecular formula C8H6O4C9H16N2 and a molecular weight of 318.37 g/mol.
Based on its molecular formula C8H6O4C9H16N2, 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine phthalate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 318.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C8H6O4 C9H16N2 |
| Molecular Weight | 318.37 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.) | 1984 |
| Nitrogen Atoms | 2 |
Related Octahydropyrimido Standards
- 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine 2-(9-oxo-9H-xanthen-2-yl)propanoate (CAS 1346753-05-6)
- 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine phosphate (CAS 51301-69-0)
- 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine 4-methylbenzenesulfonate (CAS 51376-18-2)
- 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine hydrochloride (CAS 78204-84-9)
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