(S)-4-(2-Bromo-6-(trifluoromethyl)phenyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid 1786674-19-8 CAS 1786674-19-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1786674-19-8
Molecular FormulaC17H20BrF3N2O4
Molecular Weight453.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(S)-4-(2-Bromo-6-(trifluoromethyl)phenyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid 1786674-19-8 CAS 1786674-19-8 chemical structure

Description

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.

(S)-4-(2-Bromo-6-(trifluoromethyl)phenyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid 1786674-19-8 (CAS 1786674-19-8) is a high-purity analytical reference standard with the molecular formula C17H20BrF3N2O4 and a molecular weight of 453.25 g/mol.

Structurally, (S)-4-(2-Bromo-6-(trifluoromethyl)phenyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid 1786674-19-8 (C17H20BrF3N2O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 453.25 g/mol, it falls into the moderately-high-molecular-weight range. 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).

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 FormulaC17H20BrF3N2O4
Molecular Weight453.25 g/mol
AppearanceOff-white to pale 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1994
Halogen ContentF/Br-containing
Nitrogen Atoms2

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