tert-Butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate CAS 226398-62-5

Purity 97%+In StockPharmaceutical Standards
CAS No.226398-62-5
Molecular FormulaC16H22BrNO4S
Molecular Weight404.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate CAS 226398-62-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 404.32 g/mol gives tert-Butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

tert-Butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate (CAS 226398-62-5) is a high-purity analytical reference standard with the molecular formula C16H22BrNO4S and a molecular weight of 404.32 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution, tert-Butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 404.32 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC16H22BrNO4S
Molecular Weight404.32 g/mol
Purity97%+
StorageStore at room temperature, 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2021
Halogen ContentBr-containing
Nitrogen Atoms1
Sulfur Atoms1

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