Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate CAS 781-38-4
| CAS No. | 781-38-4 |
| Molecular Formula | C39H50N12O11 |
| Molecular Weight | 862.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate (CAS 781-38-4), a certified reference material (molecular formula C39H50N12O11, MW 862.89 g/mol) for analytical method development and quality control.
Structurally, Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate (C39H50N12O11) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 21.0, corresponding to approximately 21 ring(s) or double-bond equivalent(s). With a molecular weight of 862.89 g/mol, it falls into the 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.
As a certified reference material (CRM), Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate 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 | C39H50N12O11 |
| Molecular Weight | 862.89 g/mol |
| 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 |
| Degree of Unsaturation (DBE) | 21.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Nitrogen Atoms | 12 |
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