(S)-1-[3,5-Bis­(trifluoro­meth­yl)phen­yl]-N-methylethyl­amine–(R)-2-hydroxy­butane­dioic acid (1/1)

In the title compound, C(11)H(11)F(6)N·C(4)H(6)O(5), a key inter­mediate in the synthesis of the NK1 receptor antagonist of casopitant, the F atoms of the trifluoro­methyl groups are disordered over two sites with equal occupancies. In the crystal, the components are linked by bifurcated N—H⋯(O,O) h...

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Detalles Bibliográficos
Autores principales: Zhu, Hai-Bin, Ji, Jun-Feng, Wang, Hai
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968104/
https://www.ncbi.nlm.nih.gov/pubmed/21581651
http://dx.doi.org/10.1107/S1600536808043201
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author Zhu, Hai-Bin
Ji, Jun-Feng
Wang, Hai
author_facet Zhu, Hai-Bin
Ji, Jun-Feng
Wang, Hai
author_sort Zhu, Hai-Bin
collection PubMed
description In the title compound, C(11)H(11)F(6)N·C(4)H(6)O(5), a key inter­mediate in the synthesis of the NK1 receptor antagonist of casopitant, the F atoms of the trifluoro­methyl groups are disordered over two sites with equal occupancies. In the crystal, the components are linked by bifurcated N—H⋯(O,O) hydrogen bonds.
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spelling pubmed-29681042010-12-30 (S)-1-[3,5-Bis­(trifluoro­meth­yl)phen­yl]-N-methylethyl­amine–(R)-2-hydroxy­butane­dioic acid (1/1) Zhu, Hai-Bin Ji, Jun-Feng Wang, Hai Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(11)F(6)N·C(4)H(6)O(5), a key inter­mediate in the synthesis of the NK1 receptor antagonist of casopitant, the F atoms of the trifluoro­methyl groups are disordered over two sites with equal occupancies. In the crystal, the components are linked by bifurcated N—H⋯(O,O) hydrogen bonds. International Union of Crystallography 2008-12-24 /pmc/articles/PMC2968104/ /pubmed/21581651 http://dx.doi.org/10.1107/S1600536808043201 Text en © Zhu et al. 2009 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
Zhu, Hai-Bin
Ji, Jun-Feng
Wang, Hai
(S)-1-[3,5-Bis­(trifluoro­meth­yl)phen­yl]-N-methylethyl­amine–(R)-2-hydroxy­butane­dioic acid (1/1)
title (S)-1-[3,5-Bis­(trifluoro­meth­yl)phen­yl]-N-methylethyl­amine–(R)-2-hydroxy­butane­dioic acid (1/1)
title_full (S)-1-[3,5-Bis­(trifluoro­meth­yl)phen­yl]-N-methylethyl­amine–(R)-2-hydroxy­butane­dioic acid (1/1)
title_fullStr (S)-1-[3,5-Bis­(trifluoro­meth­yl)phen­yl]-N-methylethyl­amine–(R)-2-hydroxy­butane­dioic acid (1/1)
title_full_unstemmed (S)-1-[3,5-Bis­(trifluoro­meth­yl)phen­yl]-N-methylethyl­amine–(R)-2-hydroxy­butane­dioic acid (1/1)
title_short (S)-1-[3,5-Bis­(trifluoro­meth­yl)phen­yl]-N-methylethyl­amine–(R)-2-hydroxy­butane­dioic acid (1/1)
title_sort (s)-1-[3,5-bis­(trifluoro­meth­yl)phen­yl]-n-methylethyl­amine–(r)-2-hydroxy­butane­dioic acid (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968104/
https://www.ncbi.nlm.nih.gov/pubmed/21581651
http://dx.doi.org/10.1107/S1600536808043201
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AT jijunfeng s135bistrifluoromethylphenylnmethylethylaminer2hydroxybutanedioicacid11
AT wanghai s135bistrifluoromethylphenylnmethylethylaminer2hydroxybutanedioicacid11

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