Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate CAS 477888-11-2

Purity 97%+In StockPharmaceutical Standards
CAS No.477888-11-2
Molecular FormulaC17H12ClF3N2O4
Molecular Weight400.74 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate CAS 477888-11-2 chemical structure

Description

The occurrence of Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate is closely related to a flavonoid 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.

CATO supplies Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate (CAS 477888-11-2), a certified reference material (molecular formula C17H12ClF3N2O4, MW 400.74 g/mol) for analytical method development and quality control.

Based on its molecular formula C17H12ClF3N2O4, Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 400.74 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC17H12ClF3N2O4
Molecular Weight400.74 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms2

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