Ethyl (4-(2,4-dimethoxyphenyl)-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)carbamate CAS 1015064-87-5
| CAS No. | 1015064-87-5 |
| Molecular Formula | C16H16N2O5S2 |
| Molecular Weight | 380.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl (4-(2,4-dimethoxyphenyl)-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)carbamate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl (4-(2,4-dimethoxyphenyl)-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)carbamate (CAS 1015064-87-5), molecular formula C16H16N2O5S2 and molecular weight 380.44 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl (4-(2,4-dimethoxyphenyl)-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)carbamate (C16H16N2O5S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 380.44 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C16H16N2O5S2 |
| Molecular Weight | 380.44 g/mol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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