2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-fluoro-4-methoxybenzoate CAS 871544-73-9

Purity 97%+In StockPharmaceutical Standards
CAS No.871544-73-9
Molecular FormulaC16H19FN2O4
Molecular Weight322.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-fluoro-4-methoxybenzoate CAS 871544-73-9 chemical structure

Description

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.

2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-fluoro-4-methoxybenzoate (CAS 871544-73-9) is a high-purity analytical reference standard with the molecular formula C16H19FN2O4 and a molecular weight of 322.33 g/mol.

2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-fluoro-4-methoxybenzoate (C16H19FN2O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

Physical & Chemical Properties

Molecular FormulaC16H19FN2O4
Molecular Weight322.33 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms2

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