(E)-Methyl 3-(isoquinolin-4-yl)acrylate CAS 66417-79-6
| CAS No. | 66417-79-6 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 213.23 g/mol gives (E)-Methyl 3-(isoquinolin-4-yl)acrylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(E)-Methyl 3-(isoquinolin-4-yl)acrylate (CAS 66417-79-6), molecular formula C13H11NO2 and molecular weight 213.23 g/mol, is a CATO reference standard with documented purity and traceability.
(E)-Methyl 3-(isoquinolin-4-yl)acrylate (C13H11NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C13H11NO2 |
| Molecular Weight | 213.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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.) | 1975 |
| Nitrogen Atoms | 1 |
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