4-Ethynyl-4-methyl-1-tosyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one CAS 2210312-81-3

Purity 97%+In StockPharmaceutical Standards
CAS No.2210312-81-3
Molecular FormulaC18H15NO4S
Molecular Weight341.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Ethynyl-4-methyl-1-tosyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one CAS 2210312-81-3 chemical structure

Description

4-Ethynyl-4-methyl-1-tosyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one (CAS 2210312-81-3), molecular formula C18H15NO4S and molecular weight 341.38 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-Ethynyl-4-methyl-1-tosyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one (C18H15NO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 341.38 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC18H15NO4S
Molecular Weight341.38 g/mol
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
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1998
Nitrogen Atoms1
Sulfur Atoms1

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