Tert-butyl (3aR,6aR)-3a-(trifluoromethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate CAS 1251004-14-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1251004-14-4
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Tert-butyl (3aR,6aR)-3a-(trifluoromethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate CAS 1251004-14-4 chemical structure

Description

CATO supplies Tert-butyl (3aR,6aR)-3a-(trifluoromethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate (CAS 1251004-14-4), a certified reference material (molecular formula C12H19F3N2O2, MW 280.29 g/mol) for analytical method development and quality control.

Structurally, Tert-butyl (3aR,6aR)-3a-(trifluoromethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate (C12H19F3N2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 280.29 g/mol, it falls into the medium-molecular-weight range. 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.

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 FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-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 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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1990
Halogen ContentF-containing
Nitrogen Atoms2

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