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烯丙基 7 - （二乙氨基） - 2 - 氧代 - 2 - 色烯 - 3 - 羧酸酯的合成与晶体结构

Synthesis and crystal structure of allyl 7-(di-ethyl-amino)-2-oxo-2-chromene-3-carboxyl-ate.

作者信息

Nowatschin Vanessa, Näther Christian, Lüning Ulrich

机构信息

Otto-Diels-Institut für Organische Chemie, Christian-Albrechts-Universität zu Kiel, Otto-Hahn-Platz 4, D-24098 Kiel, Germany.

Institut für Anorganische Chemie, Christian-Albrechts-Universität zu Kiel, Max-Eyth Str. 2, D-24118 Kiel, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Mar 2;77(Pt 4):331-334. doi: 10.1107/S2056989021002218. eCollection 2021 Apr 1.

DOI:10.1107/S2056989021002218
PMID:33936752
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8025865/
Abstract

The title compound, CHNO, was synthesized by the reaction of 7-(di-ethyl-amino)-2-oxo-2-chromene-3-carb-oxy-lic acid with allyl bromide and purified by flash column chromatography on silica gel. Crystals suitable for single-crystal X-ray diffraction were obtained by recrystallization from acetone. The aromatic core of the mol-ecule is not planar with the di-ethyl-amino group and with the carboxyl group that are rotated out of the 2-oxo-2-chromene plane by 6.7 (2)° and 11.4 (2)°. The NC unit of the di-ethyl-amino group is planar with an angle sum close to 360°. Inter-molecular C-H⋯O inter-actions lead to the formation of chains parallel to the axis. X-ray powder diffraction analysis proves that the title compound was obtained as a pure phase.

摘要

标题化合物CHNO是通过7 -（二乙氨基）-2 -氧代-2 -色烯-3 -羧酸与烯丙基溴反应合成的，并通过硅胶快速柱色谱法纯化。通过从丙酮中重结晶获得适合单晶X射线衍射的晶体。分子的芳香核不呈平面状，二乙氨基和羧基分别从2 -氧代-2 -色烯平面旋转出6.7（2）°和11.4（2）°。二乙氨基的NC单元呈平面状，角度总和接近360°。分子间的C-H⋯O相互作用导致形成平行于轴的链。X射线粉末衍射分析证明标题化合物为纯相。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/25d1696ce070/e-77-00331-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/586e3a6e8825/e-77-00331-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/0dc241895e84/e-77-00331-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/e40d4b9dcb47/e-77-00331-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/838c16e19632/e-77-00331-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/25d1696ce070/e-77-00331-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/586e3a6e8825/e-77-00331-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/0dc241895e84/e-77-00331-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/e40d4b9dcb47/e-77-00331-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/838c16e19632/e-77-00331-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd9f/8025865/25d1696ce070/e-77-00331-fig5.jpg

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