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| | Atorvastatin tert-Butyl Ester Basic information |
| Product Name: | Atorvastatin tert-Butyl Ester | | Synonyms: | (4R-cis)-1,1-diMethylethyl-6-[2-[2-(4-fluorophenyl)-5-(1-isopropyl)-3-phenyl-4-[(phenylaMino)carbonyl]-1H-pyrro-1-yl]ethyl]-2,2-diMethyl-1,3-dihydroxy-4-acetate;Atorvastatin t-butyl ester;(3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid tert-butyl ester;(R,dR)-2-(4-Fluorophenyl)-,d-dihydroxy-5-(1-Methylethyl)-3-phenyl-4-[(phenylaMino)carbonyl]-1H-pyrrole;(3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl);(3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbaMoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate;Atorvastatin Impurity O reference substance;tert-butyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate | | CAS: | 134395-00-9 | | MF: | C37H43FN2O5 | | MW: | 614.75 | | EINECS: | 603-817-6 | | Product Categories: | Atorvastatin intermediates;Pfizer compounds;Chiral Reagents;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals;ZJ | | Mol File: | 134395-00-9.mol |  |
| | Atorvastatin tert-Butyl Ester Chemical Properties |
| Melting point | 66-68°C | | Boiling point | 721.0±60.0 °C(Predicted) | | density | 1.16 | | storage temp. | 2-8°C | | solubility | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | pka | 13.57±0.70(Predicted) | | form | Solid | | color | White to Off-White | | PH | 6.22 at 25℃ and 10mg/L | | Major Application | pharmaceutical small molecule | | InChIKey | GCPKKGVOCBYRML-LOYHVIPDSA-N | | SMILES | Fc1ccc(cc1)c2[n](c(c(c2c4ccccc4)C(=O)Nc3ccccc3)C(C)C)CC[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C | | CAS DataBase Reference | 134395-00-9 |
| WGK Germany | WGK 2 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Aquatic Chronic 2
STOT RE 2 |
| | Atorvastatin tert-Butyl Ester Usage And Synthesis |
| Chemical Properties | Off-white to pale yellow solid | | Uses | An impurity arising in the synthesis of Atorvastatin | | Synthesis | Firstly, 90mL of methanol and compound L1 were put into a 250mL three-necked bottle.
10g into a 250mL three-necked bottle, slowly add 15% hydrochloric acid solution dropwise, the reaction at 35 ?? for 2h, TLC to monitor the raw material reaction is complete, add saturated NaHCO solution to adjust the pH value of the reaction system to 7; pumping filtration, and 25mL ?? 2 distilled water to wash the filter cake, at 60 ?? blast drying; atorvastatin tert-butyl ester crude product obtained and 30mL The crude atorvastatin tert-butyl ester and 30 mL of tetrahydrofuran were added to a 50 mL single-necked flask and refluxed for 30 min, crystals were frozen and precipitated, extracted and filtered, washed with 5 mL of frozen tetrahydrofuran, and dried at 60 ?? under a blast wind, and the product was weighed as 9.33 g, with a yield of 93.3% and a purity of 99.9%. |
| | Atorvastatin tert-Butyl Ester Preparation Products And Raw materials |
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