5-Benzyl-2-(ethylthio)-6-oxo-3,6-dihydropyrimidine-4-carbaldehyde CAS 21327-97-9

Purity 97%+In StockPharmaceutical Standards
CAS No.21327-97-9
Molecular FormulaC17H16ClN5O2
Molecular Weight357.79 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Benzyl-2-(ethylthio)-6-oxo-3,6-dihydropyrimidine-4-carbaldehyde CAS 21327-97-9 chemical structure

Description

The occurrence of 5-Benzyl-2-(ethylthio)-6-oxo-3,6-dihydropyrimidine-4-carbaldehyde is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-Benzyl-2-(ethylthio)-6-oxo-3,6-dihydropyrimidine-4-carbaldehyde (CAS 21327-97-9), molecular formula C17H16ClN5O2 and molecular weight 357.79 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C17H16ClN5O2, 5-Benzyl-2-(ethylthio)-6-oxo-3,6-dihydropyrimidine-4-carbaldehyde contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 357.79 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

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 FormulaC17H16ClN5O2
Molecular Weight357.79 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1963
Halogen ContentCl-containing
Nitrogen Atoms5

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