Formation Mechanism of Furfuryl Sulfides from O-Furfuryl Dithiocarbonates: Density Functional Theory Study for Aromatic [3,3]-Sigmatropic Rearrangement
スポンサーリンク
概要
- 論文の詳細を見る
Density functional theory (DFT) calculations at the B3LYP/6-31G(d) and B3LYP/6-31G+(d) levels demonstrated that O-furfuryl S-alkyl dithiocarbonate (1) undergoes aromatic [3,3]-sigmatropic rearrangement to the energetically unfavorable S-(2-methylene-2,3-dihydrofuran-3-yl) S-alkyl dithiocarbonate (2′), which then rearranges to furfuryl alkyl sulfide (3) with COS extrusion to regain the aromaticity lost in the first step.
- 公益社団法人 日本薬学会の論文
著者
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HARANO Kazunobu
Faculty of Pharmaceutical Sciences, Sojo University
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Yamaguchi Koki
Faculty of Pharmaceutical Sciences, Sojo University
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Yoshitake Yasuyuki
Faculty of Pharmaceutical Sciences, Sojo University
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Harano Kazunobu
Faculty Of Pharmaceutical Sciences Kumamoto University
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Eto Masashi
Liberal Arts Education Center, Aso Campus, Tokai University
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Yoshitake Yasuyuki
Faculty of Phamaceutical Sciences, Sojo University
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Yamaguchi Koki
Faculty of Phamaceutical Sciences, Sojo University
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Harano Kazunobu
Faculty of Phamaceutical Sciences, Sojo University
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