(S)-tert-Butyl 2-(5-(4-iodophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate CAS 1242094-29-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1242094-29-6
Molecular FormulaC18H22IN3O2
Molecular Weight439.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(S)-tert-Butyl 2-(5-(4-iodophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate CAS 1242094-29-6 chemical structure

Description

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.

CATO supplies (S)-tert-Butyl 2-(5-(4-iodophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate (CAS 1242094-29-6), a certified reference material (molecular formula C18H22IN3O2, MW 439.29 g/mol) for analytical method development and quality control.

Based on its molecular formula C18H22IN3O2, (S)-tert-Butyl 2-(5-(4-iodophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 439.29 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC18H22IN3O2
Molecular Weight439.29 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentI-containing
Nitrogen Atoms3

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