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首页> 外文期刊>Zeitschrift fur Kristallographie. New crystal structures >Crystal structure of (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3- (3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one, C_(31)H _(25)F_2NO_3
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Crystal structure of (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3- (3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one, C_(31)H _(25)F_2NO_3

机译:(3R,4S)-4-(4-(苄氧基)苯基)-1-(4-氟苯基)-3-(3-(4-氟苯基)-3-氧丙基)氮杂环丁烷-2-one,C_的晶体结构(31)H _(25)F_2NO_3

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摘要

(Equation presentation) (Table presentation) Source of material The title compound was obtained from nucleophilic substitution reaction of 3-((2S,3R)-2-(4-(benzyloxy)phenyl)-1-(4- fluorophenyl)-4-oxoazetidin-3-yl) propanoyl chloride and (4- fluorophenyl)magnesium bromide as described in literature and recrystallized from ethanol solution at room temperature to give crystals suitable for single-crystal X-ray diffraction. Experimental details H atoms were positioned geometrically with C-H = 0.93, 0.97 and 0.98?for aromatic, methylene and methyl, respectively, and constrained to ride on their parent atoms, with Uiso(H) = 1.2 (or 1.5 for methyl groups) times Ueq(C). Discussion (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4- fluorophenyl)-3-oxopropyl)azetidin-2-one is an important intermediate of the synthetic protocol of Ezetimibe [1]. Until now, there are a few examples of Ezetimibe derivatives which have been synthesized and characterized [2-4]. (Table presentation).
机译:(式子表示)(表式表示)原料来源通过3-((2S,3R)-2-(4-(苄氧基)苯基)-1-(4-氟苯基)-4的亲核取代反应获得标题化合物如文献所述,将-氧杂oa啶酮-3-基)丙酰氯和(4-氟苯基)溴化镁在室温下从乙醇溶液中重结晶,得到适合于单晶X射线衍射的晶体。实验细节H原子的几何位置分别为芳香族,亚甲基和甲基,分别为CH = 0.93、0.97和0.98 ?,并受约束骑在其母原子上,Uiso(H)= 1.2(对于甲基为1.5)乘以Ueq (C)。讨论(3R,4S)-4-(4-(苄氧基)苯基)-1-(4-氟苯基)-3-(3-(4-氟苯基)-3-氧丙基)氮杂环丁烷-2-酮是重要的中间体依泽替米贝的合成方案[1]。到目前为止,已经有一些合成和表征了依泽替米贝衍生物的例子[2-4]。 (表演示)。

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