di-tert-Butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate CAS 459417-40-4

Purity 97%+In StockPharmaceutical Standards
CAS No.459417-40-4
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

di-tert-Butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate CAS 459417-40-4 chemical structure

Description

di-tert-Butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate (CAS 459417-40-4) is a high-purity analytical reference standard with the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol.

Based on its molecular formula C15H26N2O5, di-tert-Butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 314.38 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC15H26N2O5
Molecular Weight314.38 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°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
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms2

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