Synthesis and structure of 4,6-di(tert-butyl)-2-(4-chloro-7,8-dimethylquinolin-2-yl)-7-(piperidin-1-ylmethyl)-1,3-tropolone
- 作者: Tkachev V.1, Sayapin Y.2,3, Dorogan I.2, Kolodina A.2, Gusakov E.2, Komissarov V.2, Shilov G.1, Aldoshin S.1, Minkin V.2,3
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隶属关系:
- Institute of Problems of Chemical Physics, Russian Academy of Sciences
- Institute of Physical and Organic Chemistry, Southern Federal University
- Southern Scientific Center, Russian Academy of Sciences
- 期: 卷 66, 编号 11 (2017)
- 页面: 2136-2141
- 栏目: Full Article
- URL: https://journals.rcsi.science/1066-5285/article/view/241633
- DOI: https://doi.org/10.1007/s11172-017-1993-3
- ID: 241633
如何引用文章
详细
The reaction of 4-chloro-2,7,8-trimethylquinoline with 4,6-di(tert-butyl)-3-(piperidin- 1-ylmethyl)-1,2-benzoquinone, which was prepared by the in situ oxidation of 4,6-di(tert- butyl)-3-(piperidin-1-ylmethyl)pyrocatechol with sodium nitrite, gave 4,6-di(tert-butyl)-2- (4-chloro-7,8-dimethylquinolin-2-yl)-7-(piperidin-1-ylmethyl)-1,3-tropolone. Its structure was determined by X-ray diffraction. The energy and structural characteristics of the tauto- mers of this compound in the gas phase and in a polar solution were calculated by quantum chemical methods (PBE0/6-311+G(d,p)).
作者简介
V. Tkachev
Institute of Problems of Chemical Physics, Russian Academy of Sciences
编辑信件的主要联系方式.
Email: vatka@icp.ac.ru
俄罗斯联邦, 1 prosp. Akad. Semenova, Chernogolovka, Moscow Region, 142432
Yu. Sayapin
Institute of Physical and Organic Chemistry, Southern Federal University; Southern Scientific Center, Russian Academy of Sciences
Email: vatka@icp.ac.ru
俄罗斯联邦, 194/2 prosp. Stachki, Rostov-on-Don, 344090; 41 ul. Chekhova, Rostov-on-Don, 344006
I. Dorogan
Institute of Physical and Organic Chemistry, Southern Federal University
Email: vatka@icp.ac.ru
俄罗斯联邦, 194/2 prosp. Stachki, Rostov-on-Don, 344090
A. Kolodina
Institute of Physical and Organic Chemistry, Southern Federal University
Email: vatka@icp.ac.ru
俄罗斯联邦, 194/2 prosp. Stachki, Rostov-on-Don, 344090
E. Gusakov
Institute of Physical and Organic Chemistry, Southern Federal University
Email: vatka@icp.ac.ru
俄罗斯联邦, 194/2 prosp. Stachki, Rostov-on-Don, 344090
V. Komissarov
Institute of Physical and Organic Chemistry, Southern Federal University
Email: vatka@icp.ac.ru
俄罗斯联邦, 194/2 prosp. Stachki, Rostov-on-Don, 344090
G. Shilov
Institute of Problems of Chemical Physics, Russian Academy of Sciences
Email: vatka@icp.ac.ru
俄罗斯联邦, 1 prosp. Akad. Semenova, Chernogolovka, Moscow Region, 142432
S. Aldoshin
Institute of Problems of Chemical Physics, Russian Academy of Sciences
Email: vatka@icp.ac.ru
俄罗斯联邦, 1 prosp. Akad. Semenova, Chernogolovka, Moscow Region, 142432
V. Minkin
Institute of Physical and Organic Chemistry, Southern Federal University; Southern Scientific Center, Russian Academy of Sciences
Email: vatka@icp.ac.ru
俄罗斯联邦, 194/2 prosp. Stachki, Rostov-on-Don, 344090; 41 ul. Chekhova, Rostov-on-Don, 344006