New Formation Mechanism of Allylic Trithiocarbonates from Sodium O-(2-Alkenyl) Dithiocarbonates via Sequential Pericyclic Reactions: Density Functional Theory Study
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) level demonstrated that sodium O-(3-phenylallyl) dithiocarbonate undergoes [3,3]-sigmatropic rearrangement to sodium S-(1-phenylallyl) dithiocarbonate, which then isomerizes to the more thermodynamically stable sodium S-(3-phenylallyl) dithiocarbonate. The calculations also showed that sodium 2-alkenyl trithiocarbonates and their esters are more labile towards the allylic rearrangement.
- 公益社団法人 日本薬学会の論文
著者
-
HARANO Kazunobu
Faculty of Pharmaceutical Sciences, Sojo University
-
Yamaguchi Koki
Faculty of Pharmaceutical Sciences, Sojo University
-
Yoshitake Yasuyuki
Faculty of Pharmaceutical Sciences, Sojo University
-
Harano Kazunobu
Faculty Of Pharmaceutical Sciences Kumamoto University
-
Eto Masashi
Liberal Arts Education Center, Aso Campus, Tokai University
-
Yoshitake Yasuyuki
Faculty of Phamaceutical Sciences, Sojo University
-
Yamaguchi Koki
Faculty of Phamaceutical Sciences, Sojo University
-
Harano Kazunobu
Faculty of Phamaceutical Sciences, Sojo University
関連論文
- Molecular Orbital Analysis of Antioxidative Activity of Phenolics from Tessaria integrifolia and Piper elongatum
- P-229 NEW STEROIDAL GLYCOSIDES FROM TUBOCAPSICUM ANOMALUM
- FORMATION OF TRICYCLIC HETEROCYCLES FROM THE CONDENSATION REACTION OF 1,2-DIAMINES WITH 1,2-DIKETONES
- New C_ Steroidal Glycosides from Tubocapsicum anomalum
- A New Homostilbene and Two New Homoisoflavones from the Bulbs of Scilla scilloides
- New C_ Steroidal Glycosides from Tubocapsicum anomalum
- Atropisomers of 1-(Acyl or Aroyl)-2-naphthylinolines. Isolation, X-Ray Crystal Structure and Confermational Analysis
- Pericyclic Reaction Behavior of Cyclopentadienones toward Acyclic Conjugated Dienes. [3,3]-Sigmatropic Rearrangement and Double Diels-Alder Reactions of the endo[4+2]π Cycloadducts
- Formation Mechanism of Furfuryl Sulfides from O-Furfuryl Dithiocarbonates: Density Functional Theory Study for Aromatic [3,3]-Sigmatropic Rearrangement
- New Formation Mechanism of Allylic Trithiocarbonates from Sodium O-(2-Alkenyl) Dithiocarbonates via Sequential Pericyclic Reactions: Density Functional Theory Study
- Crystallographic Evidence for Cyclopropane Ring Formation in Isotwistenes Obtained by Thermal Cascade Reactions of Cyclopentadienone with Acyclic Conjugated Dienes
- Cascade Reaction of Imines with Phenylsulfinylallene. X-Ray Structure of the Product and Its Formation Mechanism
- Molecular Orbital Studies on Pericyclic Reactions of Cinnamyl Xanthates in β-Cyclodextrin Cavities
- Crystallographic and Molecular Orbital Studies of 4-Oxopyrazole 1,2-Dioxides. An Exceptionally Elongted N-N Bond
- Chemical Reactivity of Dihydropyrazine Derivatives. Cycloaddition Behavior toward Ketenes
- Tetraazaindenes Derived from Dihydropyrazines with DNA Strand-Breaking Activity
- The Relationship between the Chemical Structures of Dihydropyrazine Derivatives and DNA Strand-Breakage Activity
- A Theoretical Study of Neighboring-Group Participation in Thione-to-Thiol Rearrangement of Xanthates. Molecular Orbital Calculation Using a Conductor-Like Screening Model (COSMO) Approach