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| | 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol Basic information | | Synthesis |
| | 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol Chemical Properties |
| Melting point | 137-140°C | | Boiling point | 538.3±60.0 °C(Predicted) | | density | 1.317±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid | | pka | 13.02±0.10(Predicted) | | color | White to Light Yellow | | InChI | InChI=1S/C16H20FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-8,10,21H,9H2,1-4H3 | | InChIKey | MSDYDUNHTAYBHV-UHFFFAOYSA-N | | SMILES | CS(N(C1=NC(C(C)C)=C(CO)C(C2=CC=C(F)C=C2)=N1)C)(=O)=O | | CAS DataBase Reference | 147118-36-3(CAS DataBase Reference) |
| | 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol Usage And Synthesis |
| Synthesis |  To a 500 mL three-necked flask, add 270 mL of tetrahydrofuran, 9.0 g (240 mmol) of sodium borohydride, and 22.8 g (60 mmol) (HPLC: 99.7%) of pyrimidinyl ester (II). Cool to 0 °C, and slowly add 34.2 g (240 mmol) of boron trifluoride diethyl ether complex. Heat to 60 °C and maintain the reaction temperature for 20 h. After the reaction is complete, cool to room temperature, and slowly add hydrochloric acid (v/v = 5%) to the reaction mixture. Stir for 1.5 h, then add saturated NaHCO3 to adjust the pH to 7–8. Extract with CH2Cl2 (60 mL × 2), separate the aqueous layer, dry the CH2Cl2 layer with anhydrous sodium sulfate, filter, and concentrate the filtrate to dryness under reduced pressure to obtain a pale yellow solid pyrimidinol (III). The yield was 20.49 g of 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol, with a yield of 96.7%. | | Chemical Properties | White Solid | | Uses | A Rosuvastatin (R700500) intermediate as HMG-CoA reductase inhibitor. |
| | 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol Preparation Products And Raw materials |
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