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Arturo Espinosa Ferao - One of the best experts on this subject based on the ideXlab platform.

  • on the mechanism of trimethylphosphine mediated Reductive Dimerization of ketones
    Inorganic Chemistry, 2018
    Co-Authors: Arturo Espinosa Ferao
    Abstract:

    High-level single-reference calculations reveal that trimethylphosphine-mediated Reductive Dimerization of properly substituted (e.g., CF3) ketones proceeds via initial formation of an oxaphosphirane intermediate, with the oxygen atom occupying an equatorial position at phosphorus. In the “oxirane route”, this oxaphosphirane intermediate loses a trimethylphosphine oxide unit, thus behaving as a carbene transfer agent toward a second carbonyl molecule and giving rise to a carbonyl ylide that cyclizates to the corresponding oxirane. This in turn transfers the carbene unit to a second phosphine molecule, with loss of acetone, affording a phosphorane. The latter undergoes typical Wittig reaction to the final homocoupling product through the oxaphosphetane intermediate. The alternative direct conversion of oxaphosphirane into phosphorane constitutes the lowest energy path as it skips the highest barrier oxirane → phosphorane conversion. The oxirane route is favored by the use of polar solvents and electron def...

  • On the Mechanism of Trimethylphosphine-Mediated Reductive Dimerization of Ketones
    2018
    Co-Authors: Arturo Espinosa Ferao
    Abstract:

    High-level single-reference calculations reveal that trimethylphosphine-mediated Reductive Dimerization of properly substituted (e.g., CF3) ketones proceeds via initial formation of an oxaphosphirane intermediate, with the oxygen atom occupying an equatorial position at phosphorus. In the “oxirane route”, this oxaphosphirane intermediate loses a trimethylphosphine oxide unit, thus behaving as a carbene transfer agent toward a second carbonyl molecule and giving rise to a carbonyl ylide that cyclizates to the corresponding oxirane. This in turn transfers the carbene unit to a second phosphine molecule, with loss of acetone, affording a phosphorane. The latter undergoes typical Wittig reaction to the final homocoupling product through the oxaphosphetane intermediate. The alternative direct conversion of oxaphosphirane into phosphorane constitutes the lowest energy path as it skips the highest barrier oxirane → phosphorane conversion. The oxirane route is favored by the use of polar solvents and electron deficient carbonyl components. The lowest barrier most exergonic process from oxaphosphirane is the pericyclic cycloaddition of the acetone CO bond along the endocyclic P–C bond, furnishing the stable 1,3,2-dioxaphospholane product

Yongmin Zhang - One of the best experts on this subject based on the ideXlab platform.

Lei Wang - One of the best experts on this subject based on the ideXlab platform.

Yuzo Fujiwara - One of the best experts on this subject based on the ideXlab platform.

  • a novel Reductive Dimerization oxidative dehydrogenation of aldimines mediated by lanthanoid metals
    Journal of Organic Chemistry, 2001
    Co-Authors: Wusong Jin, Yoshikazu Makioka, Tsugio Kitamura, Yuzo Fujiwara
    Abstract:

    A lanthanoid metal-mediated novel Reductive Dimerization/oxidative dehydrogenation of a variety of aldimines has been achieved. Aromatic aldimines (1) were dimerized in the presence of 0.5 mol of ytterbium metal (Yb) and 1-naphthaldehyde (1-NpCHO) to give the corresponding vicinal diimines (2) in good to high yields. Samarium metal (Sm) or samarium(II) diiodide (SmI2) gives unsatisfied yields under the same reaction conditions. As an oxidant, 1-NpCHO gives the best result. In addition, HMPA plays an important role as a cosolvent in this reaction. Reaction of various aldimines with Yb metal is disscussed in detail. Moreover, it has been found that the electron-donating substitutents on the benzene ring promote the reaction and that the electron-withdrawing substitutents retard the reaction. The reaction of deuterated N-benzylideneaniline with Yb metal confirmed that transformation of the hydride occurred from aldimines to the oxidant aldehyde. The mechanism of the reaction was discussed.

  • A novel Reductive Dimerization/oxidative dehydrogenation of aldimines mediated by lanthanoid metals.
    The Journal of Organic Chemistry, 2001
    Co-Authors: Wusong Jin, Yoshikazu Makioka, Tsugio Kitamura, Yuzo Fujiwara
    Abstract:

    A lanthanoid metal-mediated novel Reductive Dimerization/oxidative dehydrogenation of a variety of aldimines has been achieved. Aromatic aldimines (1) were dimerized in the presence of 0.5 mol of ytterbium metal (Yb) and 1-naphthaldehyde (1-NpCHO) to give the corresponding vicinal diimines (2) in good to high yields. Samarium metal (Sm) or samarium(II) diiodide (SmI2) gives unsatisfied yields under the same reaction conditions. As an oxidant, 1-NpCHO gives the best result. In addition, HMPA plays an important role as a cosolvent in this reaction. Reaction of various aldimines with Yb metal is disscussed in detail. Moreover, it has been found that the electron-donating substitutents on the benzene ring promote the reaction and that the electron-withdrawing substitutents retard the reaction. The reaction of deuterated N-benzylideneaniline with Yb metal confirmed that transformation of the hydride occurred from aldimines to the oxidant aldehyde. The mechanism of the reaction was discussed.

Zhu-jun Yao - One of the best experts on this subject based on the ideXlab platform.