147118-39-6 (R,E)-7-(4-(4-氟苯基)-6-异丙基-2-(N-甲基甲基磺酰氨基)嘧啶-5-基)-3-羟基-5-氧代庚-6-烯酸甲酯

中文名称: (R,E)-7-(4-(4-氟苯基)-6-异丙基-2-(N-甲基甲基磺酰氨基)嘧啶-5-基)-3-羟基-5-氧代庚-6-烯酸甲酯
英文名称: 5-Oxorosuvastatin methyl ester
CAS号

词条详情加载中…

名称和标识

中文名: (R,E)-7-(4-(4-氟苯基)-6-异丙基-2-(N-甲基甲基磺酰氨基)嘧啶-5-基)-3-羟基-5-氧代庚-6-烯酸甲酯
英文名: 5-Oxorosuvastatin methyl ester
CAS号: 147118-39-6
分子式: C23H28FN3O6S
分子量: 493.55
中文别名: 瑞舒伐他汀钙中间体六; (3R,5S,6E)-7-[4-(4-氟苯基)-6-异丙基-2-(N-甲基甲磺酰基胺基-5-嘧啶)]-3-羟基-5-氧代-6-庚烯酸甲酯; 瑞舒伐他汀钙中间体J9; (+)-(3R)-7-[4-(4-氟苯基)-6-异丙基-2-(N-甲基-N-甲磺酰氨基)嘧啶-5-基]-3-羟基-5-氧代-(6E)-己烯酸甲酯; 瑞舒伐他汀5-氧代酸甲酯
英文别名: ZD-6; Methyl 7-[4-(4-FLUOROPHENYL)-6-ISO-PROPYL-2-(N-METHYL-N-METHYLSULFONYLAMINO)PYRIMIDIN-5-YL]-(3R,5R)-DIHYDROXY-(E)-6-HEPTENATE; Methyl(+)-(3-R)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-(N-Methyl-N-Methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-6(E)-heptenoate; (R,E)-Methyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-MethylMethylsulfonamido)pyrimidin-5-yl)-3-hydroxy-5-oxohept-6-enoate; Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-Methyl-NMethansulphonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-6(E)-heptenoate; methyl 7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)-pyrimidin-5-yl]-(3R)-3-hydroxy-5-oxo-(E)-6-heptanate; methyl 7-[4-(4-flourophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)-pyrimidin-5-yl]-(3R)-3-hydroxy-5-oxo-(E)-6-heptenate; methyl 7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidin-5-yl]-(3R)-3-hydroxy-5-oxo-(E)-6-heptenate; methyl 7-[4-(4-flourophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidin-5-yl]-(3R)-3-hydroxy-5-oxo-(E)-6-heptenoate; 7-[4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl-methyl-amino)pyrimidin-5-yl]-3-hydroxy-5-oxo-hept-6-enoic acid methyl ester; (3R,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoic acid methyl ester; methyl (3R,6E)-7-[4-(4-flurophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidyl]-3-hydroxy-5-oxo-6-heptenoate; Methyl (3R,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3-hydroxy-5-oxohept-6-enoate; Methyl (3R,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-3-hydroxy-5-oxo-6-heptenoate; methyl (3R,6E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3-hydroxy-5-oxohept-6-enoate

物化属性

Log S (Ali): -4.32
Log S (ESOL): -3.61
LogP: 1.40
PSA: 135.14 Å²
储存条件: 2-8°C
外观

生产及用途

用途与制备

作为医药中间体或原料药，用于相关药物的合成制备。

医药

路线1：

步骤: 在冰冷却下，向16g化合物ii（7-[4-(4-氟苯基)-6-异丙基-2-(N-甲基甲磺酰胺基)-5-嘧啶]-(3R)-叔丁基二甲硅氧基-5-氧代-(6E)-庚酸甲酯）在100mL乙腈中的溶液中滴加48％氟化氢在400mL乙腈（1:19）中的溶液，将混合物温热至室温并搅拌1.5小时；反应完成后用碳酸氢钠中和，乙醚萃取，有机层经氯化钠洗涤、干燥、减压蒸发并蒸馏除去乙醚，得到目标产物。
条件: 反应温度0-20℃，溶剂为乙腈，反应时间1.5小时。
收率: 100%（13g产物）。
参考文献: [1] Patent: WO2006/17357, 2006, A1. Location in patent: Page/Page column 15；[2] Patent: WO2003/97614, 2003, A2. Location in patent: Page/Page column 8; 13；[4] Bioorganic and Medicinal Chemistry, 1997, vol. 5, # 2, p. 437 - 444；[5] Patent: WO2006/91771, 2006, A2. Location in patent: Page/Page column 26

147118-39-6 (R,E)-7-(4-(4-氟苯基)-6-异丙基-2-(N-甲基甲基磺酰氨基)嘧啶-5-基)-3-羟基-5-氧代庚-6-烯酸甲酯 - 化工 AI 网