Methyl 4-[(1E)-2-cyano-2-(2,2-dimethylpropanoyl)eth-1-en-1-yl]benzoate CAS 329780-76-9
| CAS No. | 329780-76-9 |
| Molecular Formula | C16H17NO3 |
| Molecular Weight | 271.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 4-[(1E)-2-cyano-2-(2,2-dimethylpropanoyl)eth-1-en-1-yl]benzoate (C16H17NO3) 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.
Methyl 4-[(1E)-2-cyano-2-(2,2-dimethylpropanoyl)eth-1-en-1-yl]benzoate (CAS 329780-76-9), molecular formula C16H17NO3 and molecular weight 271.31 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.
CATO manufactures Methyl 4-[(1E)-2-cyano-2-(2,2-dimethylpropanoyl)eth-1-en-1-yl]benzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H17NO3 |
| Molecular Weight | 271.31 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 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.) | 2025 |
| Nitrogen Atoms | 1 |
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