Synthesis of (E)-3-{[2-oxo-5-arylfuran-3(2H)-ylidene]methyl}-4H-1-benzopyran-4-ones, crystal structure, quantum chemical substantiation.

IF 1.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Acta Chimica Slovenica Pub Date : 2024-09-12 DOI:10.17344/acsi.2024.8791
Ekaterina Arzyamova, Olga Mazhukina, Alevtina Yegorova
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引用次数: 0

Abstract

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.

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(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。
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。
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来源期刊
Acta Chimica Slovenica
Acta Chimica Slovenica 化学-化学综合
CiteScore
2.50
自引率
25.00%
发文量
80
审稿时长
1.0 months
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.
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