11β,21-dihydroxypregna -1,4,16-triene-3,20-dione 21- acetate (cas 3044-42-6)
11β,21-dihydroxypregna -1,4,16-triene-3,20-dione 21- acetate 11β,21-Dihydroxypregna-1,4,16-Triene-3,20-Dione 21-Acetate Comprehensive Information Table Category Details Chemical Name (11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione CAS Number 3044-42-6 Synonyms Budesonide Impurity 3, Budesonide 1,4,16-Triene Impurity, 21-Acetoxy-11β-hydroxypregna-1,4,16-triene-3,20-dione Chemical Formula C₂₃H₂₈O₅ Molecular Weight 384.47 EINECS Number 221-250-9 Melting Point 208–209°C Boiling Point 553.4 ± 50.0°C (predicted) Density 1.24 ± 0.1 g/cm³ (predicted) Solubility Sparingly soluble in DCM and ethyl acetate Appearance Brown solid pKa 14.30 ± 0.70 (predicted) Optical Activity [α]²⁵/D +190° ±5° (c = 1 in chloroform) Applications Pharmaceutical Intermediate: Critical precursor for synthesizing corticosteroids (e.g., budesonide).Research Use: Steroid metabolism studies and impurity profiling. Quality Control – HPLC: C18 column, methanol-water (60:40) mobile phase, UV detection at 240 nm.– Impurity Limits: Total impurities ≤0.5%. Synthesis Pathway 1. Hydroxylation: Introduction of 11β- and 17α-hydroxyl groups via microbial or chemical methods.2. Acetylation: 21-hydroxyl group acetylated using acetic anhydride. Safety Information Risk Statements: R36/37/38 (irritating to eyes, respiratory system, skin)Precautionary Measures: S22 (Avoid inhalation), S24/25 (Avoid contact) MSDS Available from suppliers Supplementary Notes For detailed toxicological data or formulation protocols, consult specialized pharmacological references (e.g., PubChem, ChemSpider).
