Methyl (2Z)-3-[(4-chloro-2-fluorophenyl)amino]-2-phenylbut-2-enoate CAS 478041-31-5

Purity 97%+In StockPharmaceutical Standards
CAS No.478041-31-5
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl (2Z)-3-[(4-chloro-2-fluorophenyl)amino]-2-phenylbut-2-enoate CAS 478041-31-5 chemical structure

Description

The occurrence of Methyl (2Z)-3-[(4-chloro-2-fluorophenyl)amino]-2-phenylbut-2-enoate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Methyl (2Z)-3-[(4-chloro-2-fluorophenyl)amino]-2-phenylbut-2-enoate (CAS 478041-31-5) is a high-purity analytical reference standard with the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol.

Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, Methyl (2Z)-3-[(4-chloro-2-fluorophenyl)amino]-2-phenylbut-2-enoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 319.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms1

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