Methyl 5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepine-7-carboxylate CAS 1116093-90-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1116093-90-3
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepine-7-carboxylate CAS 1116093-90-3 chemical structure

Description

The occurrence of Methyl 5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepine-7-carboxylate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Methyl 5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepine-7-carboxylate (CAS 1116093-90-3), molecular formula C12H12O4 and molecular weight 220.22 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H12O4, Methyl 5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepine-7-carboxylate contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 220.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

As a certified reference material (CRM), Methyl 5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepine-7-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 FormulaC12H12O4
Molecular Weight220.22 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989

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