1-(tert-Butyl) 2-methyl (2S,4R)-4-((7-bromoisoquinolin-1-yl)oxy)pyrrolidine-1,2-dicarboxylate CAS 957475-22-8

Purity 97%+In StockPharmaceutical Standards
CAS No.957475-22-8
Molecular FormulaC20H23BrN2O5
Molecular Weight451.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(tert-Butyl) 2-methyl (2S,4R)-4-((7-bromoisoquinolin-1-yl)oxy)pyrrolidine-1,2-dicarboxylate CAS 957475-22-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 451.31 g/mol gives 1-(tert-Butyl) 2-methyl (2S,4R)-4-((7-bromoisoquinolin-1-yl)oxy)pyrrolidine-1,2-dicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-(tert-Butyl) 2-methyl (2S,4R)-4-((7-bromoisoquinolin-1-yl)oxy)pyrrolidine-1,2-dicarboxylate (CAS 957475-22-8) is a high-purity analytical reference standard with the molecular formula C20H23BrN2O5 and a molecular weight of 451.31 g/mol.

The molecular framework of 1-(tert-Butyl) 2-methyl (2S,4R)-4-((7-bromoisoquinolin-1-yl)oxy)pyrrolidine-1,2-dicarboxylate (C20H23BrN2O5) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC20H23BrN2O5
Molecular Weight451.31 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentBr-containing
Nitrogen Atoms2

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