(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)- estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal (cas 84371-57-3)
Comprehensive Information Table Category Details Chemical Name (5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal CAS Number 84371-57-3 Synonyms 5α,10α-Epoxy-3,3-(ethylenedioxy)-17β-hydroxy-17α-(1-propynyl)-9(11)-estrene; CYMI-001 Chemical Formula C₂₃H₃₀O₄ Molecular Weight 370.48 EINECS Number Not explicitly listed in search results Melting Point 122–125°C Boiling Point Predicted ~533.5°C (based on similar steroids) Density 1.30 ± 0.1 g/cm³ (predicted) Solubility Sparingly soluble in chloroform and methanol (sonicated) Appearance White to pale yellow solid pKa Not explicitly reported; estimated ~12–13 (based on ketone and ether functionalities) Optical Activity [α]²⁵/D +71° ±5° (c = 1 in chloroform) Applications Pharmaceutical Intermediate: Critical precursor for synthesizing Mifepristone derivatives (antiprogestin drugs).Research Use: Progesterone receptor antagonist studies. Quality Control – HPLC: C18 column, methanol-water (60:40) mobile phase, UV detection at 240 nm.– Impurity Limits: ≤0.5% total impurities. Synthesis Pathway 1. Epoxidation: Selective epoxidation of estr-9(11)-ene using peracids.2. Propynyl Introduction: Grignard reaction with propynyl magnesium bromide at C17.3. Cyclization: Formation of 1,2-ethanediyl acetal via acid-catalyzed cyclization. Key Suppliers – Wuhan Dingxintong Pharmaceutical (Tel: 027-59207796, China)– Jingmen Dongxin Biotech (Tel: 13047189721, China)– Shenzhen Juhe Biochemical (Tel: +86-400-002-6226, China) Safety Information Risk Statements: H301 (Toxic if swallowed), H331 (Toxic if inhaled).Precautionary Measures: S22 (Avoid inhalation), S24/25 (Avoid contact), S61 (Avoid release to environment). MSDS Available from suppliers Supplementary Notes For detailed toxicological data or formulation protocols, consult specialized pharmacological references (e.g., PubChem, ChemSpider).