{"title":"(E)- n -(取代芳基)-3-(三氟甲基)苯胺的合成、光谱、晶体、计算研究和抗菌活性","authors":"","doi":"10.56042/ijc.v62i9.769","DOIUrl":null,"url":null,"abstract":"A series of (E)-N-(substituted arylidene)-3-(trifluoromethyl) anilines were synthesised by ZnFe2O4 catalyzed microwave promoted condensation of 3-trifluoromethyl aniline and various aryl aldehydes. This condensation gave more than 90% yield of products. The synthesised imines were characterized by their analytical, micro analysis and spectroscopic data. From single crystal x-ray analysis, the structure of [(E)-N-(naphthalene-1-ylmethylene)-3-(trifluoromethyl) aniline was established. The optimized geometrical structures, molecular electrostatic potentials of these amines were investigated by theoretical-computational and FMO study. The Mulliken charge analysis of these amines were predicted. In-vitro antimicrobial activities of prepared imines were assessed using Bauer-Kirby disc diffusion method.","PeriodicalId":29765,"journal":{"name":"INDIAN JOURNAL OF CHEMISTRY","volume":"188 1","pages":"0"},"PeriodicalIF":0.4000,"publicationDate":"2023-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The Synthesis, Spectral, Crystal, computational studies and antimicrobial activities of (E)-N-(substituted arylidene)-3-(trifluoromethyl)anilines\",\"authors\":\"\",\"doi\":\"10.56042/ijc.v62i9.769\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A series of (E)-N-(substituted arylidene)-3-(trifluoromethyl) anilines were synthesised by ZnFe2O4 catalyzed microwave promoted condensation of 3-trifluoromethyl aniline and various aryl aldehydes. This condensation gave more than 90% yield of products. The synthesised imines were characterized by their analytical, micro analysis and spectroscopic data. From single crystal x-ray analysis, the structure of [(E)-N-(naphthalene-1-ylmethylene)-3-(trifluoromethyl) aniline was established. The optimized geometrical structures, molecular electrostatic potentials of these amines were investigated by theoretical-computational and FMO study. The Mulliken charge analysis of these amines were predicted. In-vitro antimicrobial activities of prepared imines were assessed using Bauer-Kirby disc diffusion method.\",\"PeriodicalId\":29765,\"journal\":{\"name\":\"INDIAN JOURNAL OF CHEMISTRY\",\"volume\":\"188 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.4000,\"publicationDate\":\"2023-09-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"INDIAN JOURNAL OF CHEMISTRY\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.56042/ijc.v62i9.769\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, ORGANIC\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"INDIAN JOURNAL OF CHEMISTRY","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.56042/ijc.v62i9.769","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}
引用次数: 0
摘要
采用ZnFe2O4催化微波催化3-三氟甲基苯胺与各种芳醛缩合反应,合成了一系列(E)- n -(取代芳基)-3-(三氟甲基)苯胺。这种缩合反应的产物收率超过90%。合成的亚胺通过分析、微量分析和光谱数据进行了表征。通过单晶x射线分析,确定了[(E)- n -(萘-1-基亚甲基)-3-(三氟甲基)苯胺的结构。通过理论计算和FMO研究对这些胺的优化几何结构、分子静电势进行了研究。预测了这些胺的Mulliken电荷分析。采用Bauer-Kirby圆盘扩散法对制备的亚胺进行体外抗菌活性评价。
The Synthesis, Spectral, Crystal, computational studies and antimicrobial activities of (E)-N-(substituted arylidene)-3-(trifluoromethyl)anilines
A series of (E)-N-(substituted arylidene)-3-(trifluoromethyl) anilines were synthesised by ZnFe2O4 catalyzed microwave promoted condensation of 3-trifluoromethyl aniline and various aryl aldehydes. This condensation gave more than 90% yield of products. The synthesised imines were characterized by their analytical, micro analysis and spectroscopic data. From single crystal x-ray analysis, the structure of [(E)-N-(naphthalene-1-ylmethylene)-3-(trifluoromethyl) aniline was established. The optimized geometrical structures, molecular electrostatic potentials of these amines were investigated by theoretical-computational and FMO study. The Mulliken charge analysis of these amines were predicted. In-vitro antimicrobial activities of prepared imines were assessed using Bauer-Kirby disc diffusion method.