Ethyl 4-((4-(tert-butyl)phenyl)sulfonyl)-6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate CAS 866134-64-7

Purity 97%+In StockPharmaceutical Standards
CAS No.866134-64-7
Molecular FormulaC21H24ClNO5S
Molecular Weight437.94 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-((4-(tert-butyl)phenyl)sulfonyl)-6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate CAS 866134-64-7 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Ethyl 4-((4-(tert-butyl)phenyl)sulfonyl)-6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate.

Ethyl 4-((4-(tert-butyl)phenyl)sulfonyl)-6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate (CAS 866134-64-7), molecular formula C21H24ClNO5S and molecular weight 437.94 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 4-((4-(tert-butyl)phenyl)sulfonyl)-6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate (C21H24ClNO5S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 437.94 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC21H24ClNO5S
Molecular Weight437.94 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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