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5,6-二甲基-4-苯基-2H-吡喃-2-酮

5,6-Dimethyl-4-phenyl-2H-pyran-2-one.

作者信息

Xu Hai-Yun, Guo Sheng-Hai, Li Kun, Fan Xue-Sen

机构信息

School of Chemistry and Environmental Science, Henan Key Laboratory for Environmental Pollution Control, Henan Normal University, Xinxiang, Henan 453007, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1131. doi: 10.1107/S1600536812011233. Epub 2012 Mar 21.

DOI:10.1107/S1600536812011233
PMID:22589986
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344077/
Abstract

In the title compound, C(13)H(12)O(2), the dihedral angle between the pyran-one and phenyl rings is 57.55 (9)°. In the crystal, the mol-ecules are linked by π-π stacking inter-actions between the parallel pyran-one rings of neighboring mol-ecules with distances of 3.5778 (11) Å and 3.3871 (11) Å between the planes. C-H⋯O interactions also occur.

摘要

在标题化合物C₁₃H₁₂O₂中，吡喃酮环和苯环之间的二面角为57.55 (9)°。在晶体中，分子通过相邻分子平行的吡喃酮环之间的π-π堆积相互作用相连，平面间距离为3.5778 (11) Å和3.3871 (11) Å。还存在C—H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a483/3344077/f37663201bae/e-68-o1131-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a483/3344077/ea67d00691ba/e-68-o1131-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a483/3344077/f37663201bae/e-68-o1131-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a483/3344077/ea67d00691ba/e-68-o1131-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a483/3344077/f37663201bae/e-68-o1131-fig2.jpg

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本文引用的文献

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Tandem reaction of 3-hydroxyhexa-4,5-allenic esters: a novel access to diversely substituted 2H-pyran-2-ones and indenes.3-羟基己-4,5-二烯酸酯的串联反应：一种新型合成多取代 2H-吡喃-2-酮和茚的方法。
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Tandem reactions leading to bicyclic pyrimidine nucleosides and benzopyran-4-ones.
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Structure-based design of novel HIV protease inhibitors: sulfonamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent non-peptidic inhibitors.新型HIV蛋白酶抑制剂的基于结构的设计：含磺酰胺的4-羟基香豆素和4-羟基-2-吡喃酮作为有效的非肽类抑制剂
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