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N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate

The title compound {systematic name: 1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa­hydro­phenan­thren-1-yl]-N,N-di­methyl­methanaminium chloride ethanol monosolvate}, C(22)H(36)N(+)·Cl(−)·C(2)H(6)O, was synthesized from dehydroabietylamine by N-methyl­ation with formaldehyde/fo...

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Autores principales: Huang, Xiu-Zhi, Rao, Xiao-Ping, Cui, Yan-Jie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685098/
https://www.ncbi.nlm.nih.gov/pubmed/23795117
http://dx.doi.org/10.1107/S1600536813013846
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author Huang, Xiu-Zhi
Rao, Xiao-Ping
Cui, Yan-Jie
author_facet Huang, Xiu-Zhi
Rao, Xiao-Ping
Cui, Yan-Jie
author_sort Huang, Xiu-Zhi
collection PubMed
description The title compound {systematic name: 1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa­hydro­phenan­thren-1-yl]-N,N-di­methyl­methanaminium chloride ethanol monosolvate}, C(22)H(36)N(+)·Cl(−)·C(2)H(6)O, was synthesized from dehydroabietylamine by N-methyl­ation with formaldehyde/formic acid and transformation into the hydro­chloride. The de­hydro­abietyl moiety exhibits the usual conformation with the two cyclo­hexane rings in chair and half-chair conformations and a trans-ring junction. The crystal structure is built up from columns of the de­hydro­abietyl moieties stacked along the a axis. These columns are held together by the chloride ions via N—H⋯Cl and C—H⋯Cl inter­actions, which establish a two-dimensional network parallel to (010). The ethanol solvent mol­ecules are located between the columns and anchored via O—H⋯Cl hydrogen bonds.
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spelling pubmed-36850982013-06-21 N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate Huang, Xiu-Zhi Rao, Xiao-Ping Cui, Yan-Jie Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound {systematic name: 1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa­hydro­phenan­thren-1-yl]-N,N-di­methyl­methanaminium chloride ethanol monosolvate}, C(22)H(36)N(+)·Cl(−)·C(2)H(6)O, was synthesized from dehydroabietylamine by N-methyl­ation with formaldehyde/formic acid and transformation into the hydro­chloride. The de­hydro­abietyl moiety exhibits the usual conformation with the two cyclo­hexane rings in chair and half-chair conformations and a trans-ring junction. The crystal structure is built up from columns of the de­hydro­abietyl moieties stacked along the a axis. These columns are held together by the chloride ions via N—H⋯Cl and C—H⋯Cl inter­actions, which establish a two-dimensional network parallel to (010). The ethanol solvent mol­ecules are located between the columns and anchored via O—H⋯Cl hydrogen bonds. International Union of Crystallography 2013-05-25 /pmc/articles/PMC3685098/ /pubmed/23795117 http://dx.doi.org/10.1107/S1600536813013846 Text en © Huang et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Huang, Xiu-Zhi
Rao, Xiao-Ping
Cui, Yan-Jie
N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate
title N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate
title_full N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate
title_fullStr N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate
title_full_unstemmed N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate
title_short N,N-Di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate
title_sort n,n-di­methyl­dehydro­abietyl­ammonium chloride ethanol monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685098/
https://www.ncbi.nlm.nih.gov/pubmed/23795117
http://dx.doi.org/10.1107/S1600536813013846
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