tert-butyl N-(tert-butoxycarbonylamino)-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]carbamate CAS 2149634-49-9

Purity 97%+In StockPharmaceutical Standards
CAS No.2149634-49-9
Molecular FormulaC22H35F3N2O4
Molecular Weight448.52 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-butyl N-(tert-butoxycarbonylamino)-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]carbamate CAS 2149634-49-9 chemical structure

Description

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.

tert-butyl N-(tert-butoxycarbonylamino)-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]carbamate (CAS 2149634-49-9) is a high-purity analytical reference standard with the molecular formula C22H35F3N2O4 and a molecular weight of 448.52 g/mol.

tert-butyl N-(tert-butoxycarbonylamino)-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]carbamate (C22H35F3N2O4) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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. 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.

Physical & Chemical Properties

Molecular FormulaC22H35F3N2O4
Molecular Weight448.52 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1997
Halogen ContentF-containing
Nitrogen Atoms2

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