Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method

[Image: see text] We describe a simple miniature shake-flask method to measure the octanol–water partition coefficient of an organic compound. Partition between water and octanol is performed in an NMR tube; the aqueous phase is analyzed by (1)H NMR spectroscopy using a benchtop low-field NMR instru...

Descripción completa

Detalles Bibliográficos
Autores principales: Cumming, Hemi, Rücker, Christoph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644330/
https://www.ncbi.nlm.nih.gov/pubmed/31457869
http://dx.doi.org/10.1021/acsomega.7b01102
_version_ 1783437230199537664
author Cumming, Hemi
Rücker, Christoph
author_facet Cumming, Hemi
Rücker, Christoph
author_sort Cumming, Hemi
collection PubMed
description [Image: see text] We describe a simple miniature shake-flask method to measure the octanol–water partition coefficient of an organic compound. Partition between water and octanol is performed in an NMR tube; the aqueous phase is analyzed by (1)H NMR spectroscopy using a benchtop low-field NMR instrument. Neither pre-equilibration of solvents nor isolation of the two phases is required. The procedure is fast and easy enough to be used in a students’ laboratory. Scope and limitations as well as possible sources of error are discussed in detail.
format Online
Article
Text
id pubmed-6644330
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-66443302019-08-27 Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method Cumming, Hemi Rücker, Christoph ACS Omega [Image: see text] We describe a simple miniature shake-flask method to measure the octanol–water partition coefficient of an organic compound. Partition between water and octanol is performed in an NMR tube; the aqueous phase is analyzed by (1)H NMR spectroscopy using a benchtop low-field NMR instrument. Neither pre-equilibration of solvents nor isolation of the two phases is required. The procedure is fast and easy enough to be used in a students’ laboratory. Scope and limitations as well as possible sources of error are discussed in detail. American Chemical Society 2017-09-28 /pmc/articles/PMC6644330/ /pubmed/31457869 http://dx.doi.org/10.1021/acsomega.7b01102 Text en Copyright © 2017 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Cumming, Hemi
Rücker, Christoph
Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method
title Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method
title_full Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method
title_fullStr Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method
title_full_unstemmed Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method
title_short Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method
title_sort octanol–water partition coefficient measurement by a simple (1)h nmr method
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644330/
https://www.ncbi.nlm.nih.gov/pubmed/31457869
http://dx.doi.org/10.1021/acsomega.7b01102
work_keys_str_mv AT cumminghemi octanolwaterpartitioncoefficientmeasurementbyasimple1hnmrmethod
AT ruckerchristoph octanolwaterpartitioncoefficientmeasurementbyasimple1hnmrmethod

Ejemplares similares