(3aR,4R,12R,12aR)-3a,4,12,12a-Tetrahydro-2,2-dimethyl-4,12-epoxy-5H,8H-1,3-dioxolo[4,5-e]pyrimido[2,1-b][1,3]oxazocin-8-one CAS 3868-21-1
| CAS No. | 3868-21-1 |
| Molecular Formula | C12H14N2O5 |
| Molecular Weight | 266.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(3aR,4R,12R,12aR)-3a,4,12,12a-Tetrahydro-2,2-dimethyl-4,12-epoxy-5H,8H-1,3-dioxolo[4,5-e]pyrimido[2,1-b][1,3]oxazocin-8-one (CAS 3868-21-1) is a high-purity analytical reference standard with the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol.
(3aR,4R,12R,12aR)-3a,4,12,12a-Tetrahydro-2,2-dimethyl-4,12-epoxy-5H,8H-1,3-dioxolo[4,5-e]pyrimido[2,1-b][1,3]oxazocin-8-one (C12H14N2O5) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C12H14N2O5 |
| Molecular Weight | 266.25 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 2 |
Recommended Standards
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- 2,3-Dihydro-2-methylfuran (CAS 1708-25-4)
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