1,3-Dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-1h-pyrrol-1-yl]benzene-1,3-dicarboxylate CAS 300676-07-7
| CAS No. | 300676-07-7 |
| Molecular Formula | C18H18ClNO5 |
| Molecular Weight | 363.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1,3-Dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-1h-pyrrol-1-yl]benzene-1,3-dicarboxylate (CAS 300676-07-7), molecular formula C18H18ClNO5 and molecular weight 363.79 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1,3-Dimethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-1h-pyrrol-1-yl]benzene-1,3-dicarboxylate (C18H18ClNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. 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 363.79 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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.
Physical & Chemical Properties
| Molecular Formula | C18H18ClNO5 |
| Molecular Weight | 363.79 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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