Methyl 4-bromo-2-((3-(tert-butyl)phenyl)amino)thiazole-5-carboxylate CAS 1000577-42-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1000577-42-3
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4-bromo-2-((3-(tert-butyl)phenyl)amino)thiazole-5-carboxylate CAS 1000577-42-3 chemical structure

Description

Methyl 4-bromo-2-((3-(tert-butyl)phenyl)amino)thiazole-5-carboxylate (CAS 1000577-42-3) is a high-purity analytical reference standard with the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol.

Structurally, Methyl 4-bromo-2-((3-(tert-butyl)phenyl)amino)thiazole-5-carboxylate (C15H17BrN2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 369.28 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentBr-containing
Nitrogen Atoms2
Sulfur Atoms1

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