About the Research
Methodology Development Driven by AFIR
Synthetic Organic chemistry, Organometallic Chemistry, Computational Chemistry, Biofunctional Chemistry, Artificial Metalloenzyme
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Representative Research Achievements
- Quantum Chemical Calculations for Reaction Prediction in the Development of Synthetic Methodologies
H. Hayashi, S. Maeda, T. Mita, Chem. Sci. 2023, 14, 11601-11616.
- Revisiting the Electrochemical Carboxylation of Naphthalene with CO2: Selective Monocarboxylation of 2-Substituted Naphthalenes
V. K. Rawat, H. Hayashi, H. Katsuyama, S. R. Mangaonkar, T. Mita, Org. Lett. 2023, 25, 4231-4235.
- Photoredox/HAT-Catalyzed Dearomative Nucleophilic Addition of the CO2 Radical Anion to (Hetero)Aromatics
S. R. Mangaonkar, H. Hayashi, H. Takano, W. Kanna, S. Maeda, T. Mita, ACS Catal. 2023, 13, 2482-2488.
- Oxidation and Reduction Pathways in the Knowles Hydroamination via a Photoredox-Catalyzed Radical Reaction
Y. Harabuchi, H. Hayashi, H. Takano, T. Mita, S. Maeda, Angew. Chem., Int. Ed. 2023, 62, e202211936.
- In Silico Reaction Screening with Difluorocarbene for N-Difluoroalkylative Dearomatization of Pyridines
H. Hayashi, H. Katsuyama, H. Takano, Y. Harabuchi, S. Maeda, T. Mita, Nat. Synth. 2022, 1, 804.
- Synthesis of Difluoroglycine Derivatives from Amines, Difluorocarbene, and CO2: Computational Design, Scope, and Application
H. Hayashi, H. Takano, H. Katsuyama, Y. Harabuchi, S. Maeda, T. Mita, Chem. Eur. J. 2021, 27, 10040.
- Ruthenium-Catalyzed Cross-Selective Asymmetric Oxidative Coupling of Arenols
H. Hayashi, T. Ueno, C. Kim, T. Uchida, Org. Lett. 2020, 22, 1469.
- Chemoselective, Enzymatic C–H Bond Amination Catalyzed by a Cytochrome P450 Containing an Ir(Me)-PIX Cofactor
P. Dydio, H. M. Key, H. Hayashi, D. S. Clark, J. F. Hartwig, J. Am. Chem. Soc. 2017, 139, 1750.
- High-Turnover Hypoiodite Catalysis for Asymmetric Synthesis of Tocopherols
M. Uyanik, H. Hayashi, K. Ishihara, Science 2014, 345, 291.
- ICReDD researchers summarize state-of-the-art in computer-guided development of reaction methodologies
- Synthesis of bicyclo[1.1.1]pentane-based, straight-shaped diphosphine ligands
- Press Release It Takes Two: cooperating catalysts provide new route for utilizing formate salts
- Press Release Automated chemical reaction prediction: now in stereo
- Method for automated reaction path search of photoredox reactions enables determination of the Knowles hydroamination mechanism
- Press Release Simplified process shines light on new catalyst opportunities
- Press Release Simulations provide map to treasure trove of fluorinated compounds
- Press Release CO2 recycling and efficient drug development—tackling two problems with one reaction
- Computational-chemistry-guided development of the difunctionalization of ethylene gas: selective incorporation of two ethylene molecules
- Carboxylation of a Palladacycle Formed via C(sp3)–H Activation: AFIR Theory‐Driven Reaction Design
- Computationally Designed Synthesis of Difluoroglycine Derivatives from Amines, Difluorocarbene, and Carbon Dioxide