ethyl 3-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate CAS 648410-16-6

Purity 97%+In StockPharmaceutical Standards
CAS No.648410-16-6
Molecular FormulaC18H14ClF3N2O4S
Molecular Weight446.83 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

ethyl 3-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate CAS 648410-16-6 chemical structure

Description

The occurrence of ethyl 3-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies ethyl 3-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate (CAS 648410-16-6), a certified reference material (molecular formula C18H14ClF3N2O4S, MW 446.83 g/mol) for analytical method development and quality control.

Based on its molecular formula C18H14ClF3N2O4S, ethyl 3-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 446.83 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 FormulaC18H14ClF3N2O4S
Molecular Weight446.83 g/mol
Purity97%+
StorageStore in a cool place (≤25°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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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