Tert-butyl (3aR,7R,7aS)-7-methyl-5-(3-nitro-4-pyridyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-oxazolo[4,5-c]pyridine-3-carboxylate CAS 1187056-33-2
| CAS No. | 1187056-33-2 |
| Molecular Formula | C17H22N4O6 |
| Molecular Weight | 378.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Tert-butyl (3aR,7R,7aS)-7-methyl-5-(3-nitro-4-pyridyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-oxazolo[4,5-c]pyridine-3-carboxylate (CAS 1187056-33-2), molecular formula C17H22N4O6 and molecular weight 378.38 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H22N4O6, Tert-butyl (3aR,7R,7aS)-7-methyl-5-(3-nitro-4-pyridyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-oxazolo[4,5-c]pyridine-3-carboxylate 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 378.38 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.
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 | C17H22N4O6 |
| Molecular Weight | 378.38 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 4 |
Recommended Standards
- 1-(5-((4-Fluorophenyl)carbamoyl)-1,3,4-thiadiazole-2-carbonyl)piperidine-3-carboxylic acid (CAS 1142210-55-6)
- Tert-butyl (3aR,7S,7aR)-7-methyl-5-(3-nitro-4-pyridyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-oxazolo[4,5-c]pyridine-3-carboxylate (CAS 1187056-36-5)
- Quinolone analog 8 (CAS 110236-79-8)
- (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1H-1,2,4-triazol-1-yl)propanoic acid (CAS 1217449-37-0)
- 6-Chloro-N-isopropyl-5-nitropyrimidin-4-amine (CAS 25710-25-2)
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- 2-(4-Methylpiperazin-1-yl)-3,4-dihydroquinazolin-4-one (CAS 16822-65-4)
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