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3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne

The title compound, C(22)H(30)BrNO, is an alk­oxy­amine compound, an effective initiator in nitroxide-mediated free radical polymerization. It was prepared as a mixture of two diasteromers; the crystal for the X-ray analysis showed one of these as a pair of R,S and S,R enanti­omers. The tert-butyl a...

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Autores principales: Pitliya, Praveen, Butcher, Ray J., Karim, A., Hudrlik, Paul F., Hudrlik, Anne M., Raghavan, D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885056/
https://www.ncbi.nlm.nih.gov/pubmed/24454232
http://dx.doi.org/10.1107/S1600536813029966
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author Pitliya, Praveen
Butcher, Ray J.
Karim, A.
Hudrlik, Paul F.
Hudrlik, Anne M.
Raghavan, D.
author_facet Pitliya, Praveen
Butcher, Ray J.
Karim, A.
Hudrlik, Paul F.
Hudrlik, Anne M.
Raghavan, D.
author_sort Pitliya, Praveen
collection PubMed
description The title compound, C(22)H(30)BrNO, is an alk­oxy­amine compound, an effective initiator in nitroxide-mediated free radical polymerization. It was prepared as a mixture of two diasteromers; the crystal for the X-ray analysis showed one of these as a pair of R,S and S,R enanti­omers. The tert-butyl and isopropyl groups are in an almost anti conformation in the crystal [C—N—C—C torsion angle = −168.8 (1)°], and the methyl group of the ethoxy group is in an approximate anti relationship to the tert-butyl group. The dihedral angle between the phenyl and benzene rings is 33.12 (7)°. The Br atom is disordered over two positions, with occupancies of 0.9139 (16) and 0.0861 (16). In the crystal, weak C—H⋯Br contacts link the mol­ecules into chains along [-110].
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spelling pubmed-38850562014-01-17 3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne Pitliya, Praveen Butcher, Ray J. Karim, A. Hudrlik, Paul F. Hudrlik, Anne M. Raghavan, D. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(22)H(30)BrNO, is an alk­oxy­amine compound, an effective initiator in nitroxide-mediated free radical polymerization. It was prepared as a mixture of two diasteromers; the crystal for the X-ray analysis showed one of these as a pair of R,S and S,R enanti­omers. The tert-butyl and isopropyl groups are in an almost anti conformation in the crystal [C—N—C—C torsion angle = −168.8 (1)°], and the methyl group of the ethoxy group is in an approximate anti relationship to the tert-butyl group. The dihedral angle between the phenyl and benzene rings is 33.12 (7)°. The Br atom is disordered over two positions, with occupancies of 0.9139 (16) and 0.0861 (16). In the crystal, weak C—H⋯Br contacts link the mol­ecules into chains along [-110]. International Union of Crystallography 2013-11-20 /pmc/articles/PMC3885056/ /pubmed/24454232 http://dx.doi.org/10.1107/S1600536813029966 Text en © Pitliya 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
Pitliya, Praveen
Butcher, Ray J.
Karim, A.
Hudrlik, Paul F.
Hudrlik, Anne M.
Raghavan, D.
3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne
title 3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne
title_full 3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne
title_fullStr 3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne
title_full_unstemmed 3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne
title_short 3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne
title_sort 3-[1-(4-bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885056/
https://www.ncbi.nlm.nih.gov/pubmed/24454232
http://dx.doi.org/10.1107/S1600536813029966
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