Transition-state-based Design of Catalytic Hydration
| Project/Area Number |
15KT0141
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 特設分野 |
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| Research Field |
Transition State Control
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| Research Institution | Nagoya University |
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Principal Investigator |
Naka Hiroshi 名古屋大学, 物質科学国際研究センター, 助教 (70431517)
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| Research Collaborator |
IWATSUKI Toshiki 名古屋大学, 大学院理学研究科, 大学院生
KANDA Tomoya 名古屋大学, 大学院理学研究科, 大学院生
BANNO Tomomi 名古屋大学, 大学院理学研究科, 大学院生
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| Project Period (FY) |
2015-07-10 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2016: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2015: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
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| Keywords | 有機化学 / 水和反応 / 触媒 / 遷移状態 / ケトン / カルボン酸 / アミド / アセタール / エステル / ニトリル |
|---|
| Outline of Final Research Achievements |
The present work revealed the structures and energies of transition states in the cobalt porphyrin-catalyzed hydration of alkynes by means of DFT calculations. Based on the knowledge acquired in the theoretical calculations, a fluorinated cobalt porphyrin complex was designed and found to serve as an effective catalyst for the hydroalkoxylation of alkynes and one-pot conversion of alkynes into various compounds.
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Report
(4 results)
Research Products
(15 results)
