2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester-d6 CAS 1185235-10-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1185235-10-2
Molecular Formula-
Molecular Weight355.37 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester-d6 CAS 1185235-10-2 chemical structure

Description

2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester-d6 (CAS 1185235-10-2), molecular formula C17H13D6NO7 and molecular weight 355.37 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester-d6 (C17H13D6NO7) is characterized by deuterium isotope labeling, a flavonoid core, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC17H13D6NO7
Molecular Weight355.37 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 methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Nitrogen Atoms1

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