Tert-butyl 3-(4-bromophenyl)-3-((tert-butylsulfinyl)amino)azetidine-1-carboxylate CAS 1313872-55-7

Purity 97%+In StockPharmaceutical Standards
CAS No.1313872-55-7
Molecular FormulaC18H27BrN2O3S
Molecular Weight431.39 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Tert-butyl 3-(4-bromophenyl)-3-((tert-butylsulfinyl)amino)azetidine-1-carboxylate CAS 1313872-55-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 431.39 g/mol gives Tert-butyl 3-(4-bromophenyl)-3-((tert-butylsulfinyl)amino)azetidine-1-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Tert-butyl 3-(4-bromophenyl)-3-((tert-butylsulfinyl)amino)azetidine-1-carboxylate (CAS 1313872-55-7) is a high-purity analytical reference standard with the molecular formula C18H27BrN2O3S and a molecular weight of 431.39 g/mol.

The molecular framework of Tert-butyl 3-(4-bromophenyl)-3-((tert-butylsulfinyl)amino)azetidine-1-carboxylate (C18H27BrN2O3S) is characterized by a steroid core, an amide group, a sulfone 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC18H27BrN2O3S
Molecular Weight431.39 g/mol
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentBr-containing
Nitrogen Atoms2
Sulfur Atoms1

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