1-(tert-Butyl) 3-ethyl 2-(5-bromopyrimidin-2-yl)malonate CAS 1956366-57-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1956366-57-6
Molecular FormulaC13H17BrN2O4
Molecular Weight345.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(tert-Butyl) 3-ethyl 2-(5-bromopyrimidin-2-yl)malonate CAS 1956366-57-6 chemical structure

Description

The occurrence of 1-(tert-Butyl) 3-ethyl 2-(5-bromopyrimidin-2-yl)malonate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 1-(tert-Butyl) 3-ethyl 2-(5-bromopyrimidin-2-yl)malonate (CAS 1956366-57-6), a certified reference material (molecular formula C13H17BrN2O4, MW 345.19 g/mol) for analytical method development and quality control.

Based on its molecular formula C13H17BrN2O4, 1-(tert-Butyl) 3-ethyl 2-(5-bromopyrimidin-2-yl)malonate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 345.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC13H17BrN2O4
Molecular Weight345.19 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 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.)1996
Halogen ContentBr-containing
Nitrogen Atoms2

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