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Synthesis, Physicochemical Properties, and Conformational Studies of (3-Alkoxymethyl-4-hydroxyphenyl)ethanones
Čižmáriková, R., Polakovičová, M. and Mišíková, E. Synthesis, Physicochemical Properties, and Conformational Studies of (3-Alkoxymethyl-4-hydroxyphenyl)ethanones Chemical Papers, Vol.56, No. 4, 2002, 256-260
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Document type:
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Článok z časopisu / Journal Article |
Collection:
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Chemical papers
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Attached Files |
Name |
Description |
MIMEType |
Size |
Downloads |
n564a256.pdf
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564a256.pdf |
application/pdf |
159.36KB |
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Author(s) |
Čižmáriková, R. Polakovičová, M. Mišíková, E.
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Title |
Synthesis, Physicochemical Properties, and Conformational Studies of (3-Alkoxymethyl-4-hydroxyphenyl)ethanones
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Journal name |
Chemical Papers
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Publication date |
2002
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Year available |
2002
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Volume number |
56
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Issue number |
4
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ISSN |
0366-6352
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Start page |
256
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End page |
260
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Place of publication |
Poland
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Publisher |
Versita
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Collection year |
2002
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Language |
english
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Subject |
250000 Chemical Sciences 250400 Analytical Chemistry
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Abstract/Summary |
A homologous series of (3-alkoxymethyl-4-hydroxyphenyl)ethanones was prepared by the reaction of (3-chloromethyl-4-hydroxyphenyl)ethanone with the different alcohols in the presence of sodium hydrogen carbonate. The confirmation of structures was achieved by interpretation of IR, UV, and 1H NMR spectra. Molecular modeling methods were used to establish conformations with global and local energetic minima. It was found that energetically the most stable conformations involved hydrogen bond formation between the hydrogen of phenolic group and the oxygen of alkoxyl group. Enthalpy values of hydrogen bonds of selected compounds were 24.86—30.51 kJ mol−1 and their distances were in the range 0.282—0.293 nm.
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