(1R,2R,5S,6S)-tert-Butyl 4-oxo-3-azatricyclo[4.2.1.02,5]non-7-ene-3-carboxylate CAS 871357-90-3
| CAS No. | 871357-90-3 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.28 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.
CATO supplies (1R,2R,5S,6S)-tert-Butyl 4-oxo-3-azatricyclo[4.2.1.02,5]non-7-ene-3-carboxylate (CAS 871357-90-3), a certified reference material (molecular formula C13H17NO3, MW 235.28 g/mol) for analytical method development and quality control.
The molecular framework of (1R,2R,5S,6S)-tert-Butyl 4-oxo-3-azatricyclo[4.2.1.02,5]non-7-ene-3-carboxylate (C13H17NO3) 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 its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C13H17NO3 |
| Molecular Weight | 235.28 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
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