Frontiers of Chemical Science and Engineering ( IF 4.3 ) Pub Date : 2019-08-02 , DOI: 10.1007/s11705-018-1734-7 Long Cheng , Ruirui Zhang , Hongke Wu , Xinghai Liu , Tianming Xu
A series of novel 6-(tert-butyl)-8-fluoro-2,3-dimethylquinoline carbonate derivatives were designed and synthesized. Bioassay results showed that some of them exhibited good activity against Pyricularia oryzae (P. oryzae). It was found that the compound 5q (benzyl (6-(tert-butyl)-8-fluoro-2,3-dimethylquinolin-4-yl) carbonate) possessed good activity against P. oryzae whatever protective activity (10 mg∙L–1) or curative activity (25 mg∙L–1), which was better than that of control tebufloquin. In addition, the frontier molecular orbit results revealed that the compound held higher activity against P. oryzae when the total energy was low and the ClogP was high, which may provide useful information for further design novel fungicides.
中文翻译:
6-(的合成
设计并合成了一系列新颖的6-(叔丁基)-8-氟-2,3-二甲基喹啉碳酸酯衍生物。生物测定结果表明,它们中的一些对稻瘟病菌(P. oryzae)表现出良好的活性。发现化合物5q(碳酸苄基(6-(叔丁基)-8-氟-2,3-二甲基喹啉-4-基)碳酸酯)具有良好的抗米曲霉活性,无论其保护性如何(10 mg∙L – 1)或治愈活性(25 mg∙L –1),优于对照替比氟喹。此外,前沿的分子轨道结果表明该化合物对稻瘟病菌具有较高的活性。 当总能量较低且ClogP较高时,可为进一步设计新型杀菌剂提供有用的信息。