Ethyl 2-(3-bromopropanamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 324022-71-1
| CAS No. | 324022-71-1 |
| Molecular Formula | C14H16BrNO4S |
| Molecular Weight | 374.25 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.
Ethyl 2-(3-bromopropanamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 324022-71-1), molecular formula C14H16BrNO4S and molecular weight 374.25 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H16BrNO4S, Ethyl 2-(3-bromopropanamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 374.25 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 | C14H16BrNO4S |
| Molecular Weight | 374.25 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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