Diethyl 2-(((4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl)amino)methylene)malonate CAS 339028-63-6
| CAS No. | 339028-63-6 |
| Molecular Formula | C27H26Cl2N2O5 |
| Molecular Weight | 529.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 529.41 g/mol gives Diethyl 2-(((4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl)amino)methylene)malonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Diethyl 2-(((4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl)amino)methylene)malonate (CAS 339028-63-6) is a high-purity analytical reference standard with the molecular formula C27H26Cl2N2O5 and a molecular weight of 529.41 g/mol.
Structurally, Diethyl 2-(((4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl)amino)methylene)malonate (C27H26Cl2N2O5) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 529.41 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.
As a certified reference material (CRM), Diethyl 2-(((4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl)amino)methylene)malonate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C27H26Cl2N2O5 |
| Molecular Weight | 529.41 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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- methyl 8-aminoimidazo[1,2-a]pyridine-6-carboxylate (CAS 1160994-94-4)
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