(E)-2-amino-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 866145-70-2

Purity 97%+In StockPharmaceutical Standards
CAS No.866145-70-2
Molecular FormulaC13H9F3N4O3
Molecular Weight326.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-2-amino-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 866145-70-2 chemical structure

Description

The occurrence of (E)-2-amino-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-6-(trifluoromethyl)pyrimidin-4(3H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies (E)-2-amino-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 866145-70-2), a certified reference material (molecular formula C13H9F3N4O3, MW 326.23 g/mol) for analytical method development and quality control.

Based on its molecular formula C13H9F3N4O3, (E)-2-amino-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-6-(trifluoromethyl)pyrimidin-4(3H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 326.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC13H9F3N4O3
Molecular Weight326.23 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms4

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