5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione CAS 478078-93-2

Purity 97%+In StockPharmaceutical Standards
CAS No.478078-93-2
Molecular FormulaC14H11BrN2O5
Molecular Weight367.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione CAS 478078-93-2 chemical structure

Description

The occurrence of 5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 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 5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 478078-93-2), a certified reference material (molecular formula C14H11BrN2O5, MW 367.15 g/mol) for analytical method development and quality control.

Structurally, 5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione (C14H11BrN2O5) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 367.15 g/mol, it falls into the moderately-high-molecular-weight range. 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.

CATO manufactures 5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC14H11BrN2O5
Molecular Weight367.15 g/mol
AppearancePale yellow to 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentBr-containing
Nitrogen Atoms2

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