4-[(4-tert-Butylphenyl)sulfanyl]-6-[(4-chlorobenzenesulfonyl)methyl]-2-methylpyrimidine CAS 338960-58-0

Purity 97%+In StockPharmaceutical Standards
CAS No.338960-58-0
Molecular FormulaC22H23ClN2O2S2
Molecular Weight447.01 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-[(4-tert-Butylphenyl)sulfanyl]-6-[(4-chlorobenzenesulfonyl)methyl]-2-methylpyrimidine CAS 338960-58-0 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-[(4-tert-Butylphenyl)sulfanyl]-6-[(4-chlorobenzenesulfonyl)methyl]-2-methylpyrimidine.

4-[(4-tert-Butylphenyl)sulfanyl]-6-[(4-chlorobenzenesulfonyl)methyl]-2-methylpyrimidine (CAS 338960-58-0), molecular formula C22H23ClN2O2S2 and molecular weight 447.01 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C22H23ClN2O2S2, 4-[(4-tert-Butylphenyl)sulfanyl]-6-[(4-chlorobenzenesulfonyl)methyl]-2-methylpyrimidine contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 447.01 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

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 FormulaC22H23ClN2O2S2
Molecular Weight447.01 g/mol
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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms2

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