tert-Butyl (3aS,6aS)-6,6-difluorohexahydro-4H-pyrrolo[3,2-c]isoxazole-4-carboxylate CAS 2597336-75-7

Purity 97%+In StockPharmaceutical Standards
CAS No.2597336-75-7
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl (3aS,6aS)-6,6-difluorohexahydro-4H-pyrrolo[3,2-c]isoxazole-4-carboxylate CAS 2597336-75-7 chemical structure

Description

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

tert-Butyl (3aS,6aS)-6,6-difluorohexahydro-4H-pyrrolo[3,2-c]isoxazole-4-carboxylate (CAS 2597336-75-7), molecular formula C10H16F2N2O3 and molecular weight 250.24 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, tert-Butyl (3aS,6aS)-6,6-difluorohexahydro-4H-pyrrolo[3,2-c]isoxazole-4-carboxylate is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 250.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

As a certified reference material (CRM), tert-Butyl (3aS,6aS)-6,6-difluorohexahydro-4H-pyrrolo[3,2-c]isoxazole-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 FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, DMSO
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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)2001
Halogen ContentF-containing
Nitrogen Atoms2

Recommended Standards

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