2-(3-Cyano-5-methyl-7-oxo-1,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)ethyl 3-methylbenzoate CAS 866137-41-9
| CAS No. | 866137-41-9 |
| Molecular Formula | C18H16N4O3 |
| Molecular Weight | 336.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-(3-Cyano-5-methyl-7-oxo-1,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)ethyl 3-methylbenzoate (C18H16N4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 336.34 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).
2-(3-Cyano-5-methyl-7-oxo-1,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)ethyl 3-methylbenzoate (CAS 866137-41-9), molecular formula C18H16N4O3 and molecular weight 336.34 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C18H16N4O3 |
| Molecular Weight | 336.34 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 4 |
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