Ethyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methano[1,3]oxathiepino[6,7-f]benzofuran-4-carboxylate CAS 568596-69-0

Purity 97%+In StockPharmaceutical Standards
CAS No.568596-69-0
Molecular FormulaC18H18F2O7S
Molecular Weight416.39 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methano[1,3]oxathiepino[6,7-f]benzofuran-4-carboxylate CAS 568596-69-0 chemical structure

Description

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 supplies Ethyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methano[1,3]oxathiepino[6,7-f]benzofuran-4-carboxylate (CAS 568596-69-0), a certified reference material (molecular formula C18H18F2O7S, MW 416.39 g/mol) for analytical method development and quality control.

Ethyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methano[1,3]oxathiepino[6,7-f]benzofuran-4-carboxylate (C18H18F2O7S) contains a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

As a certified reference material (CRM), Ethyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methano[1,3]oxathiepino[6,7-f]benzofuran-4-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC18H18F2O7S
Molecular Weight416.39 g/mol
Purity97%+
StorageStore at room temperature, 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentF-containing
Sulfur Atoms1

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