Ethyl 4-(3-cyanophenyl)-4-oxobutanoate CAS 951885-57-7

Purity 97%+In StockPharmaceutical Standards
CAS No.951885-57-7
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-(3-cyanophenyl)-4-oxobutanoate CAS 951885-57-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 231.25 g/mol gives Ethyl 4-(3-cyanophenyl)-4-oxobutanoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Ethyl 4-(3-cyanophenyl)-4-oxobutanoate (CAS 951885-57-7), molecular formula C13H13NO3 and molecular weight 231.25 g/mol, is a CATO reference standard with documented purity and traceability.

Ethyl 4-(3-cyanophenyl)-4-oxobutanoate (C13H13NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, 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.

As a certified reference material (CRM), Ethyl 4-(3-cyanophenyl)-4-oxobutanoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
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
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms1

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