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| | 16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate Basic information |
| Product Name: | 16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate | | Synonyms: | 16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate;16,17-Dihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate;16-alpha,17-alpha-dihydroxy-3,20-dioxopregna- 1,4,9(11)-trien-21-yl acetate;Pregna-1,4,9(11)-triene-16,17-diol-3,20-dione 21-acetate;21-(Acetyloxy)-16α,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione;(16α)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione;BNKY015-BD01;Budesonide Impurity 12 | | CAS: | 77017-20-0 | | MF: | C23H28O6 | | MW: | 400.46482 | | EINECS: | 278-593-2 | | Product Categories: | Intermediates & Fine Chemicals;Pharmaceuticals;Steroids | | Mol File: | 77017-20-0.mol |  |
| | 16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate Chemical Properties |
| Melting point | 213-215 °C(Solv: acetone (67-64-1); ligroine (8032-32-4)) | | Boiling point | 576.7±50.0 °C(Predicted) | | density | 1.31±0.1 g/cm3(Predicted) | | storage temp. | -10 to -25°C | | solubility | soluble in Acetone, Dichloromethane | | pka | 11.92±0.70(Predicted) | | Water Solubility | 38.72mg/L at 25℃ | | Major Application | pharmaceutical | | InChIKey | LUROGHOZLOFASD-LWHZTGECNA-N | | SMILES | C[C@]12CC=C3[C@]4(C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)COC(=O)C)C |&1:1,5,14,16,19,21,r| | | LogP | 2.26 at 25℃ |
| WGK Germany | WGK 3 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Aquatic Chronic 2
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT SE 3 |
| | 16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate Usage And Synthesis |
| Chemical Properties | Crystallization (acetone/petroleum ether). Melting point: 213-215℃. | | Uses | Intermediate in the preparation of antiinflammatory compounds. | | Synthesis | 2-((10S,13S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate (1 kg, 2.73 mol), acetone (50 L) and purified water (2.6 L) were added to the reaction vessel, and dissolved by stirring at room temperature; Formic acid (0.4 L, 10.60 mol) and potassium permanganate (1.2 kg, 7.59 mol) were added in that order, and the reaction was stirred at room temperature for 1 h. The reaction was quenched by the addition of saturated sodium hydrogen sulfite solution (10 L) and manganese dioxide, and some solid impurities were removed by suction filtration, and the filtrate was evaporated under reduced pressure to give a large white solid. The filter cake was washed with water to give 16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate (1.01 kg, 92.2%).
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| | 16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate Preparation Products And Raw materials |
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