5-(((Trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate CAS 2226905-02-6

Purity 97%+In StockPharmaceutical Standards
CAS No.2226905-02-6
Molecular FormulaC16H17F3O6S
Molecular Weight394.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(((Trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate CAS 2226905-02-6 chemical structure

Description

The occurrence of 5-(((Trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate is closely related to a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-(((Trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate (CAS 2226905-02-6) is a high-purity analytical reference standard with the molecular formula C16H17F3O6S and a molecular weight of 394.36 g/mol.

5-(((Trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate (C16H17F3O6S) 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

As a certified reference material (CRM), 5-(((Trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate 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 FormulaC16H17F3O6S
Molecular Weight394.36 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1998
Halogen ContentF-containing
Sulfur Atoms1

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