(3S,3AR,6aS)-5-(2,4-dichlorophenyl)-2-methyl-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione CAS 318951-50-7

Purity 97%+In StockPharmaceutical Standards
CAS No.318951-50-7
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3S,3AR,6aS)-5-(2,4-dichlorophenyl)-2-methyl-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione CAS 318951-50-7 chemical structure

Description

The occurrence of (3S,3AR,6aS)-5-(2,4-dichlorophenyl)-2-methyl-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(3S,3AR,6aS)-5-(2,4-dichlorophenyl)-2-methyl-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 318951-50-7), molecular formula C18H14Cl2N2O3 and molecular weight 377.22 g/mol, is a CATO reference standard with documented purity and traceability.

(3S,3AR,6aS)-5-(2,4-dichlorophenyl)-2-methyl-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (C18H14Cl2N2O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, 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 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), (3S,3AR,6aS)-5-(2,4-dichlorophenyl)-2-methyl-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione 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 FormulaC18H14Cl2N2O3
Molecular Weight377.22 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2

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