(2S,NS)-N-Allyl-N-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-N-methyl­propan-2-aminium bromide

The title compound, C(20)H(26)NO(2) (+)·Br(−), is an N-chiral quaternary ammonium salt synthesized from (2S*)-N-benzyl-N-methyl­tyrosine methyl ester. The dihedral angle between the phenyl ring and the benzene ring is 11.61 (19)°. In the crystal structure, the allyl group is disordered over two posi...

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Autores principales: Wu, Hua-Fang, Luo, Ying-Gang, Yu, Kai-Bei, Zhang, Guo-Lin, Pan, Xin-Fu
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962230/
https://www.ncbi.nlm.nih.gov/pubmed/21203311
http://dx.doi.org/10.1107/S1600536808023210
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author Wu, Hua-Fang
Luo, Ying-Gang
Yu, Kai-Bei
Zhang, Guo-Lin
Pan, Xin-Fu
author_facet Wu, Hua-Fang
Luo, Ying-Gang
Yu, Kai-Bei
Zhang, Guo-Lin
Pan, Xin-Fu
author_sort Wu, Hua-Fang
collection PubMed
description The title compound, C(20)H(26)NO(2) (+)·Br(−), is an N-chiral quaternary ammonium salt synthesized from (2S*)-N-benzyl-N-methyl­tyrosine methyl ester. The dihedral angle between the phenyl ring and the benzene ring is 11.61 (19)°. In the crystal structure, the allyl group is disordered over two positions with site occupancy factors of ca 0.8 and 0.2. The bromide anion links to the quaternary ammonium cations via O—H⋯Br hydrogen bonding. An intramolecular O—H⋯Br hydrogen bond is also observed.
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spelling pubmed-29622302010-12-30 (2S,NS)-N-Allyl-N-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-N-methyl­propan-2-aminium bromide Wu, Hua-Fang Luo, Ying-Gang Yu, Kai-Bei Zhang, Guo-Lin Pan, Xin-Fu Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(20)H(26)NO(2) (+)·Br(−), is an N-chiral quaternary ammonium salt synthesized from (2S*)-N-benzyl-N-methyl­tyrosine methyl ester. The dihedral angle between the phenyl ring and the benzene ring is 11.61 (19)°. In the crystal structure, the allyl group is disordered over two positions with site occupancy factors of ca 0.8 and 0.2. The bromide anion links to the quaternary ammonium cations via O—H⋯Br hydrogen bonding. An intramolecular O—H⋯Br hydrogen bond is also observed. International Union of Crystallography 2008-07-31 /pmc/articles/PMC2962230/ /pubmed/21203311 http://dx.doi.org/10.1107/S1600536808023210 Text en © Wu et al. 2008 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
Wu, Hua-Fang
Luo, Ying-Gang
Yu, Kai-Bei
Zhang, Guo-Lin
Pan, Xin-Fu
(2S,NS)-N-Allyl-N-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-N-methyl­propan-2-aminium bromide
title (2S,NS)-N-Allyl-N-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-N-methyl­propan-2-aminium bromide
title_full (2S,NS)-N-Allyl-N-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-N-methyl­propan-2-aminium bromide
title_fullStr (2S,NS)-N-Allyl-N-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-N-methyl­propan-2-aminium bromide
title_full_unstemmed (2S,NS)-N-Allyl-N-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-N-methyl­propan-2-aminium bromide
title_short (2S,NS)-N-Allyl-N-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-N-methyl­propan-2-aminium bromide
title_sort (2s,ns)-n-allyl-n-benzyl-1-hydr­oxy-3-(4-hydroxy­phen­yl)-n-methyl­propan-2-aminium bromide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962230/
https://www.ncbi.nlm.nih.gov/pubmed/21203311
http://dx.doi.org/10.1107/S1600536808023210
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