Ekaterina Arzyamova, Olga Mazhukina, Alevtina Yegorova
{"title":"(E)-3-{[2-氧代-5-芳基呋喃-3(2H)-亚基]甲基}-4H-1-苯并吡喃-4-酮的合成、晶体结构和量子化学证据。","authors":"Ekaterina Arzyamova, Olga Mazhukina, Alevtina Yegorova","doi":"10.17344/acsi.2024.8791","DOIUrl":null,"url":null,"abstract":"<p><p>A directed method for the preparation of hybrid compounds based on furan-2(3H)-ones and chromen-4(4H)-one, (E)-3-{[2-oxo-5-arylfuran-3(2H)-ylidene]methyl}-4H-1-benzopyran-4-ones, the structure of which was confirmed by elemental analysis, IR, UV, NMR spectroscopy, and X-ray single crystal analysis, was developed. The molecular geometry of the synthesized compound (E)-3-((2-oxo-5-phenylfuran-3(2H)-ylidene)methyl)-4H-chromen-4-one (3a) was analyzed and compared with X-ray diffraction data, DFT calculations were performed using 6-311G split-valence basis functions.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"71 3","pages":"528-539"},"PeriodicalIF":1.2000,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis of (E)-3-{[2-oxo-5-arylfuran-3(2H)-ylidene]methyl}-4H-1-benzopyran-4-ones, crystal structure, quantum chemical substantiation.\",\"authors\":\"Ekaterina Arzyamova, Olga Mazhukina, Alevtina Yegorova\",\"doi\":\"10.17344/acsi.2024.8791\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>A directed method for the preparation of hybrid compounds based on furan-2(3H)-ones and chromen-4(4H)-one, (E)-3-{[2-oxo-5-arylfuran-3(2H)-ylidene]methyl}-4H-1-benzopyran-4-ones, the structure of which was confirmed by elemental analysis, IR, UV, NMR spectroscopy, and X-ray single crystal analysis, was developed. The molecular geometry of the synthesized compound (E)-3-((2-oxo-5-phenylfuran-3(2H)-ylidene)methyl)-4H-chromen-4-one (3a) was analyzed and compared with X-ray diffraction data, DFT calculations were performed using 6-311G split-valence basis functions.</p>\",\"PeriodicalId\":7122,\"journal\":{\"name\":\"Acta Chimica Slovenica\",\"volume\":\"71 3\",\"pages\":\"528-539\"},\"PeriodicalIF\":1.2000,\"publicationDate\":\"2024-09-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Chimica Slovenica\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.17344/acsi.2024.8791\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Chimica Slovenica","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.17344/acsi.2024.8791","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
开发了一种制备基于呋喃-2(3H)-酮和色烯-4(4H)-酮的杂化化合物(E)-3-{[2-氧代-5-芳基呋喃-3(2H)-亚基]甲基}-4H-1-苯并吡喃-4-酮的定向方法，其结构已通过元素分析、红外光谱、紫外光谱、核磁共振光谱和 X 射线单晶分析得到证实。分析了合成化合物(E)-3-((2-氧代-5-苯基呋喃-3(2H)-亚基)甲基)-4H-苯并吡喃-4-酮(3a)的分子几何结构，并与 X 射线衍射数据进行了比较，使用 6-311G 分裂价基函数进行了 DFT 计算。
Synthesis of (E)-3-{[2-oxo-5-arylfuran-3(2H)-ylidene]methyl}-4H-1-benzopyran-4-ones, crystal structure, quantum chemical substantiation.
A directed method for the preparation of hybrid compounds based on furan-2(3H)-ones and chromen-4(4H)-one, (E)-3-{[2-oxo-5-arylfuran-3(2H)-ylidene]methyl}-4H-1-benzopyran-4-ones, the structure of which was confirmed by elemental analysis, IR, UV, NMR spectroscopy, and X-ray single crystal analysis, was developed. The molecular geometry of the synthesized compound (E)-3-((2-oxo-5-phenylfuran-3(2H)-ylidene)methyl)-4H-chromen-4-one (3a) was analyzed and compared with X-ray diffraction data, DFT calculations were performed using 6-311G split-valence basis functions.
期刊介绍：
Is an international, peer-reviewed and Open Access journal. It provides a forum for the publication of original scientific research in all fields of chemistry and closely related areas. Reviews, feature, scientific and technical articles, and short communications are welcome.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
