(4E)-2-(2,6-Difluorophenyl)-4-[1-(dimethylamino)-2-(1H-1,2,4-triazol-1-yl)ethylidene]-4,5-dihydro-1,3-oxazol-5-one CAS 866010-31-3

Purity 97%+In StockPharmaceutical Standards
CAS No.866010-31-3
Molecular FormulaC15H13F2N5O2
Molecular Weight333.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(4E)-2-(2,6-Difluorophenyl)-4-[1-(dimethylamino)-2-(1H-1,2,4-triazol-1-yl)ethylidene]-4,5-dihydro-1,3-oxazol-5-one CAS 866010-31-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 333.29 g/mol gives (4E)-2-(2,6-Difluorophenyl)-4-[1-(dimethylamino)-2-(1H-1,2,4-triazol-1-yl)ethylidene]-4,5-dihydro-1,3-oxazol-5-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(4E)-2-(2,6-Difluorophenyl)-4-[1-(dimethylamino)-2-(1H-1,2,4-triazol-1-yl)ethylidene]-4,5-dihydro-1,3-oxazol-5-one (CAS 866010-31-3) is a high-purity analytical reference standard with the molecular formula C15H13F2N5O2 and a molecular weight of 333.29 g/mol.

Structurally, (4E)-2-(2,6-Difluorophenyl)-4-[1-(dimethylamino)-2-(1H-1,2,4-triazol-1-yl)ethylidene]-4,5-dihydro-1,3-oxazol-5-one (C15H13F2N5O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 333.29 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC15H13F2N5O2
Molecular Weight333.29 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms5

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