Methyl 3-bromo-4-((tert-butoxycarbonyl)amino)benzoate CAS 1115276-62-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1115276-62-4
Molecular FormulaC13H16BrNO4
Molecular Weight330.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-bromo-4-((tert-butoxycarbonyl)amino)benzoate CAS 1115276-62-4 chemical structure

Description

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.

Methyl 3-bromo-4-((tert-butoxycarbonyl)amino)benzoate (CAS 1115276-62-4) is a high-purity analytical reference standard with the molecular formula C13H16BrNO4 and a molecular weight of 330.17 g/mol.

Methyl 3-bromo-4-((tert-butoxycarbonyl)amino)benzoate (C13H16BrNO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

Physical & Chemical Properties

Molecular FormulaC13H16BrNO4
Molecular Weight330.17 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, 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; 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.)1989
Halogen ContentBr-containing
Nitrogen Atoms1

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