2-(Tert-butyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile CAS 338960-21-7
| CAS No. | 338960-21-7 |
| Molecular Formula | C16H17ClN2O |
| Molecular Weight | 288.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(Tert-butyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(Tert-butyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 338960-21-7) is a high-purity analytical reference standard with the molecular formula C16H17ClN2O and a molecular weight of 288.77 g/mol.
The molecular framework of 2-(Tert-butyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (C16H17ClN2O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 2-(Tert-butyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile 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 | C16H17ClN2O |
| Molecular Weight | 288.77 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| 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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