Krische教授(テキサス大学オースティン校)との「Leveraging the Stereochemical Complexity of Octahedral Diastereomeric-at-Metal Catalysts to Unlock Regio-, Diastereo-, and Enantioselectivity in Alcohol-Mediated C–C Couplings via Hydrogen Transfer」に関する国際共著論文がJ. Am. Chem. Soc.に出版されました。
2018年からの活動を列挙します。
- 論文
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- Leveraging the Stereochemical Complexity of Octahedral Diastereomeric-at-Metal
Catalysts to Unlock Regio-, Diastereo-, and Enantioselectivity in Alcohol-Mediated
C–C Couplings via Hydrogen Transfer
J. Z. Shezaf, C. G. Santana, E. Ortiz, C. C. Meyer, P. Liu, K. Sakata, K.-W. Huang, M. J. Krische*
J. Am. CHem. Soc., 146, 7905-7914 (2024). - Electrochemical ammonia oxidation catalyzed by ruthenium complexes: investigation
of substituent effect of axial pyridine ligands
H. Toda, R. Kanega, T. Yano, T. Yoshikawa, S. Kuriyama, Y. Himeda, K. Sakata*, Y. Nishibayashi*
Chem. Lett., in press. [Editor's Choice] - Boron Trifluoride-Mediated Domino Dehydration/Electrophilic Cyclization
of Silylalkynols Leading to 2,3-Fused Tricyclic Benzofulvenes
T. Okitsu*, T. Yoshikawa*, M. Morohashi, K. Aoki, T. Yakurak K. Sakata, M. Hatano
Org. Lett., 26, 1652-1656 (2024). - Quantum Chemical Study of the Cycloaddition Reaction of Tropone with 1,1-Diethoxyethene
Catalyzed by B(C6F5)3 or BPh3
K. Sakata*, S. Suzuki, T. Sugimoto, T. Yoshikawa
ACS Omega, 8, 30410-30420 (2023). - Chiral-at-Ruthenium-SEGPHOS Catalysts Display Diastereomer-Dependent Regioselectivity:
Enantioselective Isoprene-Mediated Carbonyl tert-Prenylation via Halide
Counterion Effects.
J. Z. Shezaf, C. G. Santana, C. Saludares, E. S. Briceno, K. Sakata*, M. J. Krische*
J. Am. Chem. Soc., 145, 18676-18683 (2023). - Catalytic Ammonia Oxidation Using Ammonia Solution under Electrochemical
Conditions: Investigation on Axial Ligand of Ruthenium Catalysts.
H. Toda, K. Kuroki, R. Kanega, T. Yano, T. Yoshikawa, S. Kuriyama, Y. Himeda, K. Sakata*, and Y. Nishibayashi*
Bull. Chem. Soc. Jpn., 96, 980-988 (2023). - 2,2′-Biphenol-Derived Phosphoric Acid Catalyst for the Dehydrative Esterification
of Carboxylic Acids with Alcohols.
M. Hatano*, C. Nishioka, A. Mimura, R. Kimura, Y. Okuda,T.Yamada, K. Sakata*
Synlett, 34, (2023). - Unveiling controlling factors of the S0/S1 minimum-energy conical intersection
(3): Frozen orbital analysis based on the spin-flip theory.
T. Yoshikawa*, Y. Ikabata*, H. Nakai, K. Ogawa, K. Sakata
J. Chem. Phys., 20, 204116-1-14 (2023). - Interplay of diruthenium catalyst in controlling enantioselective propargylic
substitution reactions with visible light-generated alkyl radicals.
Y. Zhang, Y. Tanabe, S. Kuriyama, K. Sakata*, Y. Nishibayashi*
Nature comm., 14, 859-1-16 (2023). - Iridium-Catalyzed Branch-Selective Hydroalkylation of Simple Alkenes with
Malonic Amides and Malonic Esters
T. Sawano, M. Ono, A. Iwasa, M. Hayase, J. Funatsuki, A. Sugiyama, E. Ishikawa, T. Yoshikawa, K. Sakata*, and R. Takeuchi*
J. Org. Chem., 88, 1545-1559 (2023). - Effect of Propargylic Substituents on Enantioselectivity and Reactivity
in Ruthenium-Catalyzed Propargylic Substitution Reactions: A DFT Study
K. Sakata*, Y. Uehara, S.Kohara, T. Yoshikawa Y. Nishibayashi
ACS Omega, 7, 36634-36642 (2022). - Quantum Algorithm of the Divide-and-Conquer Unitary Coupled Cluster Method
with a Variational Quantum Eigensolver
T. Yoshikawa, T. Takanashi, H. Nakaii*
J. Chem. Theor. Comp., 18, 5360-5273 (2022). - Ruthenium‐ and Copper‐Catalyzed Propargylic Substitution Reactions of Propargylic
Alcohol Derivatives with Hydrazones
S. Liu, Y. Tanabe, S. Kuriyama, K. Sakata*, Y. Nishibayashii*
Chem. Eur. J., 27, 15650-15659 (2021). - Enantioselectivity in Ruthenium‐Catalyzed Propargylic Substitution Reactions
of Propargylic Alcohols with Acetone: A DFT Study
K. Sakata*, Y. Goto, T. Yoshikawa Y. Nishibayashi
Chem. Asian J., 16, 3760-3766 (2021). - Manganese-Catalyzed Ammonia Oxidation into Dinitrogen Chemical or Electrochemical
Conditions
H. Toda, K. Kuroki, R. Kanega, S. Kuriyama, K. Nakajima, Y. Himeda, K. Sakata*, and Y. Nishibayashi*
ChemPlusChem, 60, 1511-1516 (2021). - Ruthenium-Catalyzed Enantioselective Propargylic Phosphinylation of Propargylic
Alcohols with Phosphine Oxides
S. Liu, Y. Tanabe, S. Kuriyama, K. Sakata*, and Y. Nishibayashi*
Angew. Chem. Int. Ed., 60, 11231-11236 (2021). - Trajectory surface hopping approach to condensed-phase nonradiative relaxation
dynamics using divide-and-conquer type spin-flip time-dependent density-functional
tight-binding
H. Uratani, T. Yoshikawa, and H. Nakai*
J. Chem. Theory Comput., 17, 1290-1300 (2021).
- Roles of Lewis Acid Catalysts in Diels−Alder Reactions between Cyclopentadiene
and Methyl Acrylate
K. Sakata*, and H. Fujimoto
ChemistryOpen, 9, 662-666 (2020).
- Regioselectivity in the Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of
Unsymmetrical α,ω-Diynes with Nitrile: A DFT Study
K. Sakata*, S. Shimada, and R. Takeuchi
Organometallics, 39, 2091-2101 (2020).
- Ruthenium-Catalyzed Propargylic Reduction of Propargylic Alcohols with
Hantzsch Ester
H. Ding, K. Sakata*, S. Kuriyama, and Y. Nishibayashi*
Organometallics, 39, 2130-2134 (2020). - Machine-learned electron correlation model based on frozen core approximation
Y. Ikabata, R. Fujisawa, J. Seino, T. Yoshikawa, and H. Nakai*
J. Chem. Phys., 153, 184108-1-13 (2020). - Fast nonadiabatic molecular dynamics via spin-flip time-dependent density-functional
tight-binding approach: Application to nonradiative relaxation of tetraphenylethylene
with locked rings
H. Uratani, T. Morioka, T. Yoshikawa, and H. Nakai*
J. Chem. Theory Comput., 16, 7299-7313 (2020).
- Total Synthesis of (-)-Graminin A Based on Asymmetric Cyclization Carbonylation
of Propargyl Acetate
Y. Ito, T. Kusakabe, Y. D. Dhage, K. Takahashi, K. Sakata, H. Sasai, and K. Kato*
J. Org. Chem., 84, 16268-16277 (2019).
- Copper-Catalyzed [3+2] Cycloaddition Reactions of Isocyanoacetates with
Phosphaalkynes to Prepare 1,3-Azaphospholes
W. Liang, K. Nakajima*, K. Sakata*, and Y. Nishibayashi*
Angew. Chem. Int. Ed., 58, 1168-1173 (2019).
- Ruthenium-Catalysed Oxidative Conversion of Ammonia into Dinitrogen
H. Toda, K. Nakajima, K. Sakata*, and Y. Nishibayashi*
Nature Chem., 11, 702-709 (2019).
- UVA- and Visible Light-Mediated Generation of Carbon Radicals from Organochlorides
Using Non-metal Photocatalyst
R. Matsubara*, T. Yabuta, U. Md Idros, M. Hayashi, F. Ema, Y. Kobori, and K. Sakata
J. Org. Chem., 83, 9381-9390 (2018).
- Force Constant Decomposition for Penta-coordinated XCH3Cl2 (X=C, Si, Ge)
Structures
K. Sakata*
J. Comput. Chem., 39, 1544-1550 (2018).
- Leveraging the Stereochemical Complexity of Octahedral Diastereomeric-at-Metal
Catalysts to Unlock Regio-, Diastereo-, and Enantioselectivity in Alcohol-Mediated
C–C Couplings via Hydrogen Transfer
- 総説等
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- スピン反転凍結軌道解析を用いた円錐交差構造の支配因子に関する理論的研究
五十幡 康弘, 吉川 武司, 中井 浩巳, 小川 賢太郎, 坂田 健
J. Comput. Chem. Jpn., 22, 41-49 (2023). - Divide-and-Conquer Linear-Scaling Quantum Chemical Computations
H. Nakai* M. Kobayashi, T. Yoshikawa, J. Seino, Y. Ikabata and Y.Nishimura
J. Phys. Chem. A, 127, 589-618 (2023). - ルイス酸触媒を用いた有機変換反応に関する量子化学的研究
坂田 健
有機合成化学協会誌, 80, 115-125 (2022). - Mechanism and Reactivity of Catalytic Propargylic Substitution Reactions
via Metal-Allenylidene Intermediates: A Theoretical Perspective
K. Sakata*, and Y. Nishibayashi*
Catal. Sci. Technol., 8, 12-25 (2018). [Selected as cover picture.]
- スピン反転凍結軌道解析を用いた円錐交差構造の支配因子に関する理論的研究