(E)-1-(4-(3,4-dichlorophenyl)piperazin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one CAS 329778-33-8
| CAS No. | 329778-33-8 |
| Molecular Formula | C21H22Cl2N2O2 |
| Molecular Weight | 405.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies (E)-1-(4-(3,4-dichlorophenyl)piperazin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one (CAS 329778-33-8), a certified reference material (molecular formula C21H22Cl2N2O2, MW 405.32 g/mol) for analytical method development and quality control.
(E)-1-(4-(3,4-dichlorophenyl)piperazin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one (C21H22Cl2N2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C21H22Cl2N2O2 |
| Molecular Weight | 405.32 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) | 11.0 |
| 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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Recommended Standards
- 6-(5,6-Difluoro-2-methyl-1H-benzo[d]imidazol-1-yl)-N-(4-(trifluoromethyl)phenyl)pyrazin-2-amine (CAS 1782970-28-8)
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- 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine;hydrochloride (CAS 1353955-17-5)
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- Methyl (1-benzylpiperidin-4-ylidene)(cyano)acetate hydrochloride (CAS 1987359-06-7)
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