• Title/Summary/Keyword: 1,3-cycleohexandion

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Theoretical Study of Solvent Effect on Yield of Oxidative Addition Reaction (산화첨가반응의 수득률에 미치는 용매효과에 관한 이론적 연구)

  • Lee, Chul-Jae;Kim, Byung-So
    • Applied Chemistry for Engineering
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    • v.21 no.5
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    • pp.586-589
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    • 2010
  • In present work, oxidative addition reaction of 1,3-cycleohexandion (1,3-CHD) with ethyl vinyl ether (EVE) was attempted utilizing $Ag_2CO_3$/celite (SC) reagent. In order to optimize reaction conditions, we surveyed several solvents for the production of dihydrofuran with the (SC) system. The yield of the acetonitrile (AN), dimethyl sulfoxide (DMSO), benzene (BZ), and heptane (HT) are given 78, 40, 15, and 10%, respectively. Therefore, we studied the solvent effects on yields by using PM3 and ZINDO/1 parameter of semi-empirical method of HyperChem7.0 molecular modeling program.