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外消旋-(1S*,4aS*,8aS*)-4a-羟基-2-甲基-全氢-螺[异喹啉-4,1'-环己烷]-2'-酮

rac-(1S*,4aS*,8aS*)-4a-Hy-droxy-2-methyl-perhydro-spiro-[isoquinoline-4,1'-cyclo-hexa-n]-2'-one.

作者信息

Siaka Sorho, Soldatenkov Anatoly T, Malkova Anastasia V, Soldatova Svetlana A, Khrustalev Victor N

机构信息

Institut National Polytechnique Félix Houphouët-Boigny, Enseignant-Chercheur à l'INP-HB de Yamoussoukro, BP 991 Yamoussoukro, Côte d'Ivoire.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 5;69(Pt 5):o628. doi: 10.1107/S1600536813007010. Print 2013 May 1.

DOI:10.1107/S1600536813007010
PMID:23723795
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3647829/
Abstract

In the title compound, C15H25NO2, all three six-membered rings adopt chair conformations. The cyclo-hexane and piperidine rings within the perhydro-isoquinoline are trans-trans fused. The N atom has a trigonal-pyramidal geometry (the sum of the bond angles is 328.0°). The methyl substituent occupies the sterically preferrable equatorial position. In the crystal, mol-ecules form infinite [100] chains via O-H⋯N hydrogen bonds.

摘要

在标题化合物C₁₅H₂₅NO₂中，所有三个六元环均呈椅式构象。全氢异喹啉中的环己烷环和哌啶环为反式-反式稠合。N原子具有三角锥几何构型（键角总和为328.0°）。甲基取代基占据空间上更有利的赤道位置。在晶体中，分子通过O—H⋯N氢键形成无限的[100]链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91b6/3647829/5e2b3fdd990f/e-69-0o628-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91b6/3647829/65da1a1feedd/e-69-0o628-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91b6/3647829/e1ffd89cbe77/e-69-0o628-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91b6/3647829/5e2b3fdd990f/e-69-0o628-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91b6/3647829/65da1a1feedd/e-69-0o628-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91b6/3647829/e1ffd89cbe77/e-69-0o628-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/91b6/3647829/5e2b3fdd990f/e-69-0o628-fig3.jpg

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本文引用的文献

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3-Methyl-1,2,3,4,5,6,1',2',3',4'-deca-hydro-spiro-[benz[f]isoquinoline-1,2'-naphthalen]-1'-one.3-甲基-1,2,3,4,5,6,1',2',3',4'-十氢-螺[苯并[f]异喹啉-1,2'-萘并]-1'-酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3230. doi: 10.1107/S1600536812043309. Epub 2012 Oct 27.
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Synthesis and antiarrhythmic activity of 2-dialkylaminoalkyl-9-phenyl-1H-indeno[2,1-c]pyridine derivatives.
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