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).