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首页> 外文期刊>Journal of Fluorine Chemistry >Synthesis and bioactivity of fluorine compounds containing isoxazolylamino and phosphonate groups
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Synthesis and bioactivity of fluorine compounds containing isoxazolylamino and phosphonate groups

机译：含异恶唑基氨基和膦酸酯基团的氟化合物的合成及生物活性

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摘要

A series of alpha-amino(2,or 4)-fluorobenzyl-phosphonates containing isoxazole moiety were synthesized by the reaction of fluoroben-zoaldehyde,3-amino-5-methylisoxazole and dialkyl phosphite under unltrasound irradiation without solvent and catalyst.Their structures were established by elemental analysis,IR,~1H NMR and ~(13)C NMR.The bioassay tests showed that these title compounds exhibit moderate anticancer activity in vitro by MTT method.The crystal structure of 4c has been determined by X-ray diffraction.It crystallizes in the monoclinic system,space group P2(l),with unit cell parameters:a = 0.9335(3),b = 1.3067(4),c = 1.6552(6)nm,beta = 104.801(6)deg,Z = 4,V= 1.9521(11)nm~3,D_c = 1.260 g/cm~3,mu = 0.172 mm~(-1),F(OOO)= 784.The crystal structure was solved by direct methods and refined by full-matrix least squares to final values of R = 0.0524 and wR = 0.1592 with 9902 reflections(I > 2sigma(I)).The dihedral angle between the plane of isoxazole group and the plane of the benzene is 77.27deg.
机译：在无溶剂，无催化剂的情况下，在无辐射的条件下，由氟苯甲甲醛，3-氨基-5-甲基异恶唑与亚磷酸二烷基酯反应，合成了一系列含异恶唑基团的α-氨基（2或4）-氟苄基膦酸酯。通过元素分析，IR，〜1H NMR和〜（13）C NMR建立。生物测定测试表明，采用MTT方法，这些标题化合物在体外显示中等的抗癌活性。X射线衍射确定了4c的晶体结构。它在单斜晶系系统P2（l）/ n空间单元中结晶，单位晶格参数为：a = 0.9335（3），b = 1.3067（4），c = 1.6552（6）nm，beta = 104.801（6）deg ，Z ＝ 4，V ＝ 1.9521（11）nm〜3，D_c ＝ 1.260g / cm〜3，μ＝ 0.172mm〜（-1），F（OOO）＝ 784。通过全矩阵最小二乘法将其最终值R = 0.0524和wR = 0.1592，反射9902（I> 2sigma（I））。异恶唑基团平面与苯平面之间的二面角是77.27deg。

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