4-({[(3Z)-2-oxo-1-(pyrimidin-2-yl)pyrrolidin-3-ylidene]methyl}amino)benzonitrile CAS 339111-12-5
| CAS No. | 339111-12-5 |
| Molecular Formula | C16H13N5O |
| Molecular Weight | 291.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-({[(3Z)-2-oxo-1-(pyrimidin-2-yl)pyrrolidin-3-ylidene]methyl}amino)benzonitrile.
CATO supplies 4-({[(3Z)-2-oxo-1-(pyrimidin-2-yl)pyrrolidin-3-ylidene]methyl}amino)benzonitrile (CAS 339111-12-5), a certified reference material (molecular formula C16H13N5O, MW 291.31 g/mol) for analytical method development and quality control.
The molecular framework of 4-({[(3Z)-2-oxo-1-(pyrimidin-2-yl)pyrrolidin-3-ylidene]methyl}amino)benzonitrile (C16H13N5O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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).
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 | C16H13N5O |
| Molecular Weight | 291.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 5 |
Recommended Standards
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