Methyl (2Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(4-chloronaphthalen-1-yl)amino]prop-2-enoate CAS 1164559-14-1
| CAS No. | 1164559-14-1 |
| Molecular Formula | C20H13Cl2F3N2O2 |
| Molecular Weight | 441.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl (2Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(4-chloronaphthalen-1-yl)amino]prop-2-enoate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl (2Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(4-chloronaphthalen-1-yl)amino]prop-2-enoate (CAS 1164559-14-1), molecular formula C20H13Cl2F3N2O2 and molecular weight 441.23 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H13Cl2F3N2O2, Methyl (2Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(4-chloronaphthalen-1-yl)amino]prop-2-enoate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 441.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C20H13Cl2F3N2O2 |
| Molecular Weight | 441.23 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
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