Methyl 1-benzyl-5-thioxopyrrolidine-3-carboxylate CAS 874130-13-9

Purity 97%+In StockPharmaceutical Standards
CAS No.874130-13-9
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 1-benzyl-5-thioxopyrrolidine-3-carboxylate CAS 874130-13-9 chemical structure

Description

The occurrence of Methyl 1-benzyl-5-thioxopyrrolidine-3-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies Methyl 1-benzyl-5-thioxopyrrolidine-3-carboxylate (CAS 874130-13-9), a certified reference material (molecular formula C13H15NO2S, MW 249.33 g/mol) for analytical method development and quality control.

Methyl 1-benzyl-5-thioxopyrrolidine-3-carboxylate (C13H15NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility, 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 FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms1
Sulfur Atoms1

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