Tert-butyl 3-(4-cyanophenyl)propanoate CAS 91574-47-9

Purity 97%+In StockPharmaceutical Standards
CAS No.91574-47-9
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Tert-butyl 3-(4-cyanophenyl)propanoate CAS 91574-47-9 chemical structure

Description

The occurrence of Tert-butyl 3-(4-cyanophenyl)propanoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies Tert-butyl 3-(4-cyanophenyl)propanoate (CAS 91574-47-9), a certified reference material (molecular formula C14H17NO2, MW 231.29 g/mol) for analytical method development and quality control.

The molecular framework of Tert-butyl 3-(4-cyanophenyl)propanoate (C14H17NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC14H17NO2
Molecular Weight231.29 g/mol
AppearanceOff-white to pale yellow crystalline powder
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.)1983
Nitrogen Atoms1

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