tert-Butyl 5-(3-methoxy-3-oxopropyl)-8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate CAS 2096986-00-2
| CAS No. | 2096986-00-2 |
| Molecular Formula | C21H28N2O4 |
| Molecular Weight | 372.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C21H28N2O4, tert-Butyl 5-(3-methoxy-3-oxopropyl)-8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-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 372.46 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
CATO supplies tert-Butyl 5-(3-methoxy-3-oxopropyl)-8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate (CAS 2096986-00-2), a certified reference material (molecular formula C21H28N2O4, MW 372.46 g/mol) for analytical method development and quality control.
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.
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 | C21H28N2O4 |
| Molecular Weight | 372.46 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.) | 1997 |
| Nitrogen Atoms | 2 |
Recommended Standards
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- tert-Butyl 4-(3-bromo-2,2-difluoropropanoyl)piperidine-1-carboxylate (CAS 2766367-07-9)
- 3-(2-Chloro-6-fluorophenyl)-N-isopropyl-5-methyl-N-phenylisoxazole-4-carboxamide (CAS 866150-64-3)
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