2-(4-(2-Chlorobenzoyl)-1-methyl-5-(methylthio)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)acetic acid CAS 1269534-86-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1269534-86-2
Molecular FormulaC15H14ClNO4S
Molecular Weight339.79 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-(2-Chlorobenzoyl)-1-methyl-5-(methylthio)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)acetic acid CAS 1269534-86-2 chemical structure

Description

The occurrence of 2-(4-(2-Chlorobenzoyl)-1-methyl-5-(methylthio)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)acetic acid is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(4-(2-Chlorobenzoyl)-1-methyl-5-(methylthio)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)acetic acid (CAS 1269534-86-2) is a high-purity analytical reference standard with the molecular formula C15H14ClNO4S and a molecular weight of 339.79 g/mol.

2-(4-(2-Chlorobenzoyl)-1-methyl-5-(methylthio)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)acetic acid (C15H14ClNO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. 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. 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 FormulaC15H14ClNO4S
Molecular Weight339.79 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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