Methyl 4-(4-Bromophenyl)-2,2-dimethyl-4-oxobutanoate CAS 791593-73-2

Purity 97%+In StockPharmaceutical Standards
CAS No.791593-73-2
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4-(4-Bromophenyl)-2,2-dimethyl-4-oxobutanoate CAS 791593-73-2 chemical structure

Description

The occurrence of Methyl 4-(4-Bromophenyl)-2,2-dimethyl-4-oxobutanoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies Methyl 4-(4-Bromophenyl)-2,2-dimethyl-4-oxobutanoate (CAS 791593-73-2), a certified reference material (molecular formula C13H15BrO3, MW 299.16 g/mol) for analytical method development and quality control.

Methyl 4-(4-Bromophenyl)-2,2-dimethyl-4-oxobutanoate (C13H15BrO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, 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 high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC13H15BrO3
Molecular Weight299.16 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentBr-containing

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