Diethyl 2-[[[3-(2,6-Dimethylpyridin-4-yl-4-Fluorophenyl]Amino]Methylidene]Propanedioate CAS 104431-74-5

Purity 97%+In StockPharmaceutical Standards
CAS No.104431-74-5
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Diethyl 2-[[[3-(2,6-Dimethylpyridin-4-yl-4-Fluorophenyl]Amino]Methylidene]Propanedioate CAS 104431-74-5 chemical structure

Description

The occurrence of Diethyl 2-[[[3-(2,6-Dimethylpyridin-4-yl-4-Fluorophenyl]Amino]Methylidene]Propanedioate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Diethyl 2-[[[3-(2,6-Dimethylpyridin-4-yl-4-Fluorophenyl]Amino]Methylidene]Propanedioate (CAS 104431-74-5) is a high-purity analytical reference standard with the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol.

Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, Diethyl 2-[[[3-(2,6-Dimethylpyridin-4-yl-4-Fluorophenyl]Amino]Methylidene]Propanedioate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 386.42 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC21H23FN2O4
Molecular Weight386.42 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentF-containing
Nitrogen Atoms2

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