• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Development of New Radical Reactions by Computational Chemistry and Their Realization by Synthetic Experiment

Research Project

Project/Area Number 21K18945
Research Category

Grant-in-Aid for Challenging Research (Exploratory)

Allocation TypeMulti-year Fund
Review Section Medium-sized Section 33:Organic chemistry and related fields
Research InstitutionHokkaido University

Principal Investigator

Mita Tsuyoshi  北海道大学, 化学反応創成研究拠点, 特任准教授 (00548183)

Project Period (FY) 2021-07-09 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥6,500,000 (Direct Cost: ¥5,000,000、Indirect Cost: ¥1,500,000)
Fiscal Year 2022: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Fiscal Year 2021: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
KeywordsAFIR法 / 量子化学計算 / ラジカル / アミノ酸 / 逆合成 / 反応経路ネットワーク / 光電子移動触媒 / 光反応 / 電解反応 / ラジカル反応 / 計算科学 / 人工力誘起反応法 / 反応予測
Outline of Research at the Start

これまでの有機合成化学に立脚した新反応開発は、有機合成化学者の経験や合成的なセンスが必要であることに加え、年単位に及ぶ膨大な実験が必要である。この開発プロセスを合理的に進めるため計算科学が積極的に活用され始めている。申請者は量子化学計算の一種である人工力誘起反応法(AFIR法)を用いることで、過去に報告例がなく人知の及びにくいラジカル反応の経路をコンピュータに提案させ、その提案された経路を合成化学実験で具現化する。

Outline of Final Research Achievements

Using the core technology of the WPI-ICReDD, the AFIR method, new organic radical reactions have been successfully developed. Radical species are known for their high reactivity, which often makes predicting their behavior difficult. However, the AFIR method allows for quick and accurate prediction of radical behavior. This study focused on predicting and realizing functionalization reactions for small molecules such as ethylene and CO2. Specifically, the study successfully developed functionalization reactions of ethylene to imidoyl radicals and sulfonyl radicals, as well as the synthesis of (un)symmetric DPPE derivatives from ethylene. Additionally, the study successfully developed the reaction of CO2 radical anions with stable heteroaromatic rings. These developments are expected to contribute to the advancement of organic synthetic chemistry.

Academic Significance and Societal Importance of the Research Achievements

本研究成果は、反応経路自動探索法(AFIR法)用いて、新しい有機ラジカル反応の開発に成功したことにより、有機合成化学の発展に大きく貢献する。ラジカル種は反応性が非常に高く、予測が難しいことから、これまで理論ベースでの新反応の開発が困難であったが、本研究により、計算化学でラジカル種の挙動を予測しながら新反応を開発する手法が確立された。具体的には、エチレンやCO2などの小分子に対する官能基化反応の開発に成功し、新しい反応開発の手法として注目を集めた。本研究成果は、有機化学分野の発展に貢献すると同時に、新しい医農薬品や機能性材料の化学合成にも役立つものである。

Report

(3 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Research-status Report
  • Research Products

    (74 results)

All 2023 2022 2021 Other

All Journal Article (15 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 15 results,  Open Access: 3 results) Presentation (55 results) (of which Int'l Joint Research: 18 results,  Invited: 10 results) Remarks (2 results) Patent(Industrial Property Rights) (2 results) (of which Overseas: 1 results)

  • [Journal Article] Synthesis of Bicyclo[1.1.1]pentane (BCP)‐Based Straight‐Shaped Diphosphine Ligands**2023

    • Author(s)
      Takano Hideaki、Katsuyama Hitomi、Hayashi Hiroki、Harukawa Miyu、Tsurui Makoto、Shoji Sunao、Hasegawa Yasuchika、Maeda Satoshi、Mita Tsuyoshi
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 62 Issue: 23

    • DOI

      10.1002/anie.202303435

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photoredox/HAT-Catalyzed Dearomative Nucleophilic Addition of the CO2 Radical Anion to (Hetero)Aromatics2023

    • Author(s)
      Mangaonkar Saeesh R.、Hayashi Hiroki、Takano Hideaki、Kanna Wataru、Maeda Satoshi、Mita Tsuyoshi
    • Journal Title

      ACS Catalysis

      Volume: 13 Issue: 4 Pages: 2482-2488

    • DOI

      10.1021/acscatal.2c06192

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Toward Ab Initio Reaction Discovery Using the Artificial Force Induced Reaction Method2023

    • Author(s)
      Maeda Satoshi、Harabuchi Yu、Hayashi Hiroki、Mita Tsuyoshi
    • Journal Title

      Annual Review of Physical Chemistry

      Volume: 74 Issue: 1 Pages: 287-311

    • DOI

      10.1146/annurev-physchem-102822-101025

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Catalytic Umpolung Carboxylation of π-Allylpalladium Species with Carbon Dioxide2022

    • Author(s)
      Mita Tsuyoshi、Higuchi Yuki、Sato Yoshihiro
    • Journal Title

      Journal of Synthetic Organic Chemistry, Japan

      Volume: 80 Issue: 9 Pages: 806-816

    • DOI

      10.5059/yukigoseikyokaishi.80.806

    • ISSN
      0037-9980, 1883-6526
    • Year and Date
      2022-09-01
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Catalytic Carbonyl Allylation Using Terminal Alkenes as Nucleophiles2022

    • Author(s)
      Michigami Kenichi、Mita Tsuyoshi、Sato Yoshihiro
    • Journal Title

      Journal of Synthetic Organic Chemistry, Japan

      Volume: 80 Issue: 3 Pages: 210-221

    • DOI

      10.5059/yukigoseikyokaishi.80.210

    • ISSN
      0037-9980, 1883-6526
    • Year and Date
      2022-03-01
    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Oxidation and Reduction Pathways in the Knowles Hydroamination via a Photoredox‐Catalyzed Radical Reaction**2022

    • Author(s)
      Harabuchi Yu、Hayashi Hiroki、Takano Hideaki、Mita Tsuyoshi、Maeda Satoshi
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 62 Issue: 1

    • DOI

      10.1002/anie.202211936

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Prediction of High-Yielding Single-Step or Cascade Pericyclic Reactions for the Synthesis of Complex Synthetic Targets2022

    • Author(s)
      Mita Tsuyoshi、Takano Hideaki、Hayashi Hiroki、Kanna Wataru、Harabuchi Yu、Houk K. N.、Maeda Satoshi
    • Journal Title

      Journal of the American Chemical Society

      Volume: 144 Issue: 50 Pages: 22985-3000

    • DOI

      10.1021/jacs.2c09830

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] A theory-driven synthesis of symmetric and unsymmetric 1,2-bis(diphenylphosphino)ethane analogues via radical difunctionalization of ethylene2022

    • Author(s)
      Takano Hideaki、Katsuyama Hitomi、Hayashi Hiroki、Kanna Wataru、Harabuchi Yu、Maeda Satoshi、Mita Tsuyoshi
    • Journal Title

      Nature Communications

      Volume: 13 Issue: 1 Pages: 7034-7034

    • DOI

      10.1038/s41467-022-34546-5

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] In silico reaction screening with difluorocarbene for N-difluoroalkylative dearomatization of pyridines2022

    • Author(s)
      Hayashi Hiroki、Katsuyama Hitomi、Takano Hideaki、Harabuchi Yu、Maeda Satoshi、Mita Tsuyoshi
    • Journal Title

      Nature Synthesis

      Volume: 1 Issue: 10 Pages: 804-814

    • DOI

      10.1038/s44160-022-00128-y

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Electrochemical Dearomative Dicarboxylation of Heterocycles with Highly Negative Reduction Potentials2022

    • Author(s)
      You Yong、Kanna Wataru、Takano Hideaki、Hayashi Hiroki、Maeda Satoshi、Mita Tsuyoshi
    • Journal Title

      Journal of the American Chemical Society

      Volume: 144 Issue: 8 Pages: 3685-3695

    • DOI

      10.1021/jacs.1c13032

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Recent Advances in the Catalytic Umpolung Carboxylation of Allylic Alcohol Derivatives with Carbon Dioxide2022

    • Author(s)
      You Yong、Mita Tsuyoshi
    • Journal Title

      Asian Journal of Organic Chemistry

      Volume: 11 Issue: 5

    • DOI

      10.1002/ajoc.202200082

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Reactivity prediction through quantum chemical calculations2021

    • Author(s)
      Maeda Satoshi、Harabuchi Yu、Hasegawa Taisuke、Suzuki Kimichi、Mita Tsuyoshi
    • Journal Title

      AsiaChem Magazine

      Volume: 2 Issue: 1 Pages: 56-63

    • DOI

      10.51167/acm00024

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Radical Difunctionalization of Gaseous Ethylene Guided by Quantum Chemical Calculations: Selective Incorporation of Two Molecules of Ethylene2021

    • Author(s)
      Takano Hideaki、You Yong、Hayashi Hiroki、Harabuchi Yu、Maeda Satoshi、Mita Tsuyoshi
    • Journal Title

      ACS Omega

      Volume: 6 Issue: 49 Pages: 33846-33854

    • DOI

      10.1021/acsomega.1c05102

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Carboxylation of a Palladacycle Formed via C(sp3)-H Activation: Theory‐Driven Reaction Design2021

    • Author(s)
      Kanna Wataru、Harabuchi Yu、Takano Hideaki、Hayashi Hiroki、Maeda Satoshi、Mita Tsuyoshi
    • Journal Title

      Chemistry - An Asian Journal

      Volume: 16 Issue: 24 Pages: 4072-4080

    • DOI

      10.1002/asia.202100989

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Synthesis of Difluoroglycine Derivatives from Amines, Difluorocarbene, and CO2: Computational Design, Scope, and Applications2021

    • Author(s)
      Hayashi Hiroki、Takano Hideaki、Katsuyama Hitomi、Harabuchi Yu、Maeda Satoshi、Mita Tsuyoshi
    • Journal Title

      Chemistry A European Journal

      Volume: 27 Issue: 39 Pages: 10040-10047

    • DOI

      10.1002/chem.202100812

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Presentation] Theory-Driven Organic Synthesis2023

    • Author(s)
      Tsuyoshi Mita
    • Organizer
      The 5th ICReDD International Symposium
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Photoredox/HAT-Catalyzed Dearomative Nucleophilic Addition of the CO2 Radical Anion to (Hetero)aromatics2023

    • Author(s)
      Saeesh R. Mangaonkar, Hiroki Hayashi, Hideaki Takano, Wataru Kanna, Satoshi Maeda, Tsuyoshi Mita
    • Organizer
      The 5th ICReDD International Symposium
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Transition-Metal-Catalyzed C(sp3)-H Carboxylation of CO22023

    • Author(s)
      Tsuyoshi Mita
    • Organizer
      The 7th International Conference on Catalysis and Chemical Engineering Conferences (CCE)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 立体特異的なペリ環状反応の反応自動経路探索:AFIR法による量子化学的逆合成2023

    • Author(s)
      美多 剛, 髙野 秀明, 林 裕樹, 神名 航, 原渕 祐, K. N. Houk, 前田 理
    • Organizer
      日本化学会第103春季年会 (2023)
    • Related Report
      2022 Annual Research Report
  • [Presentation] プロペランのひずみ解消を駆動力とするジホスフィン化による非対称ビスホスフィン誘導2023

    • Author(s)
      髙野 秀明, 勝山 瞳, 林 裕樹, 前田 理, 美多 剛
    • Organizer
      日本化学会第103春季年会 (2023)
    • Related Report
      2022 Annual Research Report
  • [Presentation] Photoredox Dearomative Nucleophilic Addition of CO2 Radical Anion to (Hetero)aromatics2023

    • Author(s)
      Saeesh R. Mangaonkar, Hiroki Hayashi, Hideaki Takano, Wataru Kanna, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
    • Organizer
      日本化学会第103春季年会 (2023)
    • Related Report
      2022 Annual Research Report
  • [Presentation] Electrochemical Dearomative Carboxylation of Electron-deficient Aromatic Compounds2023

    • Author(s)
      Vishal Kumar Rawat, Hiroki Hayashi, Satoshi Maeda, Tsuyoshi Mita
    • Organizer
      日本化学会第103春季年会 (2023)
    • Related Report
      2022 Annual Research Report
  • [Presentation] アミニウムラジカルと二酸化炭素を用いたオレフィンのアミノカルボキシル化:量子化学計算を活用したβ-アミノ酸の新規合成法の開発2023

    • Author(s)
      神名 航, 原渕 祐, 勝山 瞳, 髙野 秀明, 林 裕樹, 美多 剛, 前田 理
    • Organizer
      日本化学会第103春季年会 (2023)
    • Related Report
      2022 Annual Research Report
  • [Presentation] 光電子移動/HAT触媒を用いた(ヘテロ)芳香環の脱芳香族カルボキシル化2023

    • Author(s)
      美多 剛, Saeesh R. Mangaonkar, 林 裕樹, 髙野 秀明, 神名 航, 原渕 祐, 前田 理
    • Organizer
      日本薬学会第143年会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 量子化学計算を指針としたジフルオロカルベンを用いる三成分反応の設計と具現化2022

    • Author(s)
      林 裕樹, 勝山 瞳, 髙野 秀明, 原渕 祐, 前田 理, 美多 剛
    • Organizer
      第24回理論化学討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 光電子移動触媒を用いた分子内ヒドロアミノ化反応の触媒サイクル全貌解明2022

    • Author(s)
      原渕 祐, 林 裕樹, 髙野 秀明, 美多 剛, 前田 理
    • Organizer
      第24回理論化学討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] AFIR 法を用いた立体特異的なペリ環状反応の自動経路探索:天然物の自動探索を目指して2022

    • Author(s)
      髙野 秀明, 林 裕樹, 神名 航, 原渕 祐, 前田 理, 美多 剛
    • Organizer
      第24回理論化学討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 電解還元法を用いたヘテロ芳香環の脱芳香族ジカルボキシル化反応2022

    • Author(s)
      髙野 秀明, You Yong, 神名 航, 林 裕樹, 前田 理, 美多 剛
    • Organizer
      第20回次世代を担う有機化学シンポジウム
    • Related Report
      2022 Annual Research Report
  • [Presentation] Synthesis and Photophysical Properties of a Eu(Ⅲ) Coordination Polymer with Unsymmetric Linker2022

    • Author(s)
      Miyu Harukawa, Hideaki Takano, Tsuyoshi Mita, Sunao Shoji, Koji Fushimi, Yuichi Kitagawa, Yasuchika Hasegawa
    • Organizer
      第17回化学的にプログラムされた合成色素類の超分子ナノ科学 (SNCPP22)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theory-Driven Carboxylation of a Palladacycle2022

    • Author(s)
      Wataru Kanna, Yu Harabuchi, Hideaki Takano, Hiroki Hayashi, Tsuyoshi Mita, Satoshi Maeda
    • Organizer
      The 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2020)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Synthesis of Unsymmetric DPPE Derivatives from Ethylene: Physical Properties and Catalytic Activities of Their Metal Complexes2022

    • Author(s)
      Tsuyoshi Mita, Hideki Takano, Hitomi Katsuyama, Hiroki Hayashi, Wataru Kanna, Yu Harabuchi, Satoshi Maeda
    • Organizer
      The 30th International Conference on Organometallic Chemistry (ICOMC 2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Eu(III)配位高分子の架橋部への置換基導入と発光機能2022

    • Author(s)
      春川 美友, 髙野 秀明, 美多 剛, 庄司 淳, 伏見 公志, 北川 裕一, 長谷川 靖哉
    • Organizer
      第33回配位化合物の光化学討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] ドナーアクセプター型リンカーを有するEu(III)配位高分子の合成と光物性2022

    • Author(s)
      春川 美友, 髙野 秀明, 美多 剛, 庄司 淳, 伏見 公志, 北川 裕一, 長谷川 靖哉
    • Organizer
      第71回高分子討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] エチレンガスを用いた対称及び非対称DPPE誘導体の簡便合成法の開発と遷移金属錯体への応用2022

    • Author(s)
      髙野 秀明, 勝山 瞳, 林 裕樹, 神名 航, 原渕 祐, 前田 理, 美多 剛
    • Organizer
      第68回有機金属化学討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Reaction Simulation by Quantum Chemical Calculations for Multicomponent Reactions with Difluorocarbene2022

    • Author(s)
      Hiroki Hayashi, Hitomi Katsuyama, Hideaki Takano, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
    • Organizer
      薬学部×ICReDDジョイントシンポジウム
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 電子供与および電子求引性置換基を架橋配位子に導入したEu(III)配位高分子の発光機能2022

    • Author(s)
      春川 美友, 髙野 秀明, 美多 剛, 庄司 淳, 伏見 公志, 北川 裕一, 長谷川 靖哉
    • Organizer
      錯体化学会第72回討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Transition-Metal-Catalyzed Carboxylation of C(sp3)-H bonds with CO22022

    • Author(s)
      Tsuyoshi Mita
    • Organizer
      錯体化学会第72回討論会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Electrochemical Dearomative Carboxylations of Heteroaromatics with Highly Negative Reduction Potentials2022

    • Author(s)
      Tsuyoshi Mita
    • Organizer
      The 2nd International Conference on Carbon Chemistry and Materials (CCM-2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Calculation-Based Reaction Design: Three-Component Reactions Using Difluorocarbene2022

    • Author(s)
      Tsuyoshi Mita
    • Organizer
      Joint Symposium of S-Membrane Project and F-Material Project at Gunma University
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 計算化学主導の新反応開発2022

    • Author(s)
      美多 剛
    • Organizer
      徳島大学特別講演会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] AFIR法に基づくエチレンの二官能基化反応による対称及び非対称DPPE誘導体の合成と配位子への展開2022

    • Author(s)
      髙野 秀明, 勝山 瞳, 林 裕樹, 神名 航, 原渕 祐, 前田 理, 美多 剛
    • Organizer
      第8回北大・部局横断シンポジウム
    • Related Report
      2022 Annual Research Report
  • [Presentation] Eu(III)配位高分子を用いた広い温度域における感温発光機能2022

    • Author(s)
      春川 美友, 髙野 秀明, 美多 剛, 庄司 淳, 伏見 公志, 北川 裕一, 長谷川 靖哉
    • Organizer
      第18回 学際領域における分子イメージングフォーラム
    • Related Report
      2022 Annual Research Report
  • [Presentation] Automated Reaction-Path Search for Stereospecific Pericyclic Reactions by the Artificial Force Induced Reaction Method2022

    • Author(s)
      Tsuyoshi Mita
    • Organizer
      The 4th ICReDD International Symposium
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Computational Reaction Screening with Difluorocarbene for N-difluoroalkylative Dearomatization of Pyridines2022

    • Author(s)
      Hiroki Hayashi, Hitomi Katsuyama, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
    • Organizer
      The 4th ICReDD International Symposium
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Photochemical Radical Double Functionalization of Ethylene Gas Guided by Quantum Chemical Calculations2022

    • Author(s)
      Hideki Takano, Hitomi Katsuyama, Hiroki Hayashi, Wataru Kanna, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
    • Organizer
      The 4th ICReDD International Symposium
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Electrochemical Dearomative Carboxylation of Heteroaromatic rings Supported by DFT Calculations2022

    • Author(s)
      Yong You, Wataru Kanna, Hideaki Takano, Hiroki Hayashi, Satoshi Maeda, Tsuyoshi Mita
    • Organizer
      The 4th ICReDD International Symposium
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Carboxylation of a Palladacycle: Reaction Design Driven by Quantum Chemical Calculation2022

    • Author(s)
      Wataru Kanna, Yu Harabuchi, Hideaki Takano, Hiroki Hayashi, Tsuyoshi Mita, Satoshi Maeda
    • Organizer
      The 4th ICReDD International Symposium
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] CO2ラジカルアニオンを用いるヘテロ芳香環の脱芳香族ダブルカルボキシル化:計算化学を取り入れた反応開発2022

    • Author(s)
      美多 剛, You Yong, 神名 航, 髙野 秀明, 林 裕樹, 前田 理
    • Organizer
      日本化学会第102春季年会 (2022)
    • Related Report
      2021 Research-status Report
  • [Presentation] 量子化学計算に基づく新規反応開発:エチレンのダブル官能基化反応による非対称DPPEの合成2022

    • Author(s)
      髙野 秀明, 勝山 瞳, 林 裕樹, 神名 航, 原渕 祐, 前田 理, 美多 剛
    • Organizer
      日本化学会第102春季年会 (2022)
    • Related Report
      2021 Research-status Report
  • [Presentation] パラダサイクルのカルボキシル化:量子化学計算に基づく新規反応開発2022

    • Author(s)
      神名 航, 原渕 祐, 髙野 秀明, 林 裕樹, 美多 剛, 前田 理
    • Organizer
      日本化学会第102春季年会 (2022)
    • Related Report
      2021 Research-status Report
  • [Presentation] 非対称型リンカーを導入したEu(III)配位高分子の合成と光物性2022

    • Author(s)
      春川 美友, 髙野 秀明, 美多 剛, 庄司 淳, 伏見 公志, 北川 裕一, 長谷川 靖哉
    • Organizer
      日本化学会第102春季年会 (2022)
    • Related Report
      2021 Research-status Report
  • [Presentation] AFIR法による量子化学的逆合成:立体特異的なペリ環状反応の反応経路自動探索2022

    • Author(s)
      美多 剛, 髙野 秀明, 林 裕樹, 神名 航, 原渕 祐, 前田 理
    • Organizer
      日本薬学会第142年会
    • Related Report
      2021 Research-status Report
  • [Presentation] Theory-Driven Approach to Chemical Synthesis of Difluoroglycine Derivatives and Its Application2021

    • Author(s)
      Tsuyoshi Mita
    • Organizer
      Joint Symposium of Engineering & Information Sciences & WPI-ICReDD in Hokkaido University
    • Related Report
      2021 Research-status Report
    • Invited
  • [Presentation] 低温条件下でのモノアルキル-λ3-ヨーダンの発生、観測と反応への応用2021

    • Author(s)
      渡辺 啓仁, 松岡 慶太郎, 小島 正寛, 美多 剛, 鈴木 机倫, 前田 理, 吉野 達彦, 松永 茂樹
    • Organizer
      日本薬学会北海道支部第147回例会
    • Related Report
      2021 Research-status Report
  • [Presentation] Iodine tris(trifluoroacetate)を用いた化学選択的な不活性テトラアルキルシランのSi-C(sp3)結合切断反応の開発2021

    • Author(s)
      松岡 慶太郎, 駒見 成実, 渡辺 啓仁, 小島 正寛, 美多 剛, 鈴木 机倫, 前田 理, 吉野 達彦, 松永 茂樹
    • Organizer
      第19回次世代を担う有機化学シンポジウム
    • Related Report
      2021 Research-status Report
  • [Presentation] パラダサイクルのカルボキシル化:量子化学計算と合成化学実験による新手法開発2021

    • Author(s)
      神名 航,原渕 佑,髙野 秀明,林 裕樹,美多 剛,前田 理
    • Organizer
      第33回万有札幌シンポジウム
    • Related Report
      2021 Research-status Report
  • [Presentation] 計算科学を活用した有機合成2021

    • Author(s)
      美多 剛
    • Organizer
      質量分析学会(北海道談話会)
    • Related Report
      2021 Research-status Report
    • Invited
  • [Presentation] 量子化学計算を取り入れたパラダサイクルカルボキシル化の手法開発2021

    • Author(s)
      神名 航,原渕 佑,髙野 秀明,林 裕樹,美多 剛,前田 理
    • Organizer
      第67回有機金属化学討論会
    • Related Report
      2021 Research-status Report
  • [Presentation] Iodine Tris(trifluoroacetate)によるテトラアルキルシランの酸化反応2021

    • Author(s)
      吉野 達彦, 松岡 慶太郎, 駒見 成実, 渡辺 啓仁, 小島 正寛, 美多 剛, 鈴木 机倫, 前田 理, 松永 茂樹
    • Organizer
      第67回有機金属化学討論会
    • Related Report
      2021 Research-status Report
  • [Presentation] 量子化学計算を使った新しい分子変換反応のみつけ方 - 挑戦と今後の課題2021

    • Author(s)
      美多 剛
    • Organizer
      化学反応経路探索のニューフロンティア2021
    • Related Report
      2021 Research-status Report
    • Invited
  • [Presentation] 量子化学計算を指針とするジフルオロカルベンを伴う三成分環化反応の開発2021

    • Author(s)
      林 裕樹, 勝山 瞳, 原渕 祐, 前田 理, 美多 剛
    • Organizer
      第7回北大・部局横断シンポジウム
    • Related Report
      2021 Research-status Report
  • [Presentation] Iodine Tris(trifluoroacetate)によるテトラアルキルシランの酸化反応2021

    • Author(s)
      吉野 達彦, 松岡 慶太郎, 駒見 成実, 渡辺 啓仁, 小島 正寛, 美多 剛, 鈴木 机倫, 前田 理, 松永 茂樹
    • Organizer
      第7回北大・部局横断シンポジウム
    • Related Report
      2021 Research-status Report
  • [Presentation] AFIR法に基づくエチレンガスの光触媒を用いたラジカルダブル官能基化反応の開発2021

    • Author(s)
      髙野 秀明, 美多 剛, 原渕 祐, 前田 理
    • Organizer
      第47回反応と合成の進歩シンポジウム
    • Related Report
      2021 Research-status Report
  • [Presentation] エチレンガスのラジカルダブル官能基化反応を指向したAFIR法に基づく新規反応開発2021

    • Author(s)
      髙野 秀明, 美多 剛, 原渕 祐, 前田 理
    • Organizer
      第119回有機合成化学協会シンポジウム
    • Related Report
      2021 Research-status Report
  • [Presentation] ジフルオログリシン誘導体の合成的応用2021

    • Author(s)
      林 裕樹, 髙野 秀明, 勝山 瞳, 原渕 祐, 前田 理, 美多 剛
    • Organizer
      第44回フッ素化学討論会
    • Related Report
      2021 Research-status Report
  • [Presentation] In Silico Reaction Screening with Difluorocarbene for Diverse N-Difluoroalkylative Dearomatization of Pyridine2021

    • Author(s)
      Hiroki Hayashi, Hitomi Katsuyama, Yu Harabuchi, Satochi Maeda, Tsuyoshi Mita
    • Organizer
      The 13th AFMC International Medicinal Chemistry Symposium (AIMECS 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Synthesis of Difluoroglycine Derivatives from Amines, Difluorocarbene, and CO2: Computational Design, Scope, and Application2021

    • Author(s)
      Tsuyoshi Mita, Hiroki Hayashi, Hideaki Takano, Hitomi Katsuyama, Yu Harabuchi, Satoshi Maeda
    • Organizer
      The 2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Diverse N-Difluoroalkylative Dearomatization of Pyridine Guided by In Silico Reaction Design2021

    • Author(s)
      Hiroki Hayashi, Hitomi Katsuyama, Tsuyoshi Mita, Yu Harabuchi, Satoshi Maeda
    • Organizer
      The 2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Light-Driven Radical Double Functionalization of Ethylene Gas Guided by Quantum Chemical Calculations2021

    • Author(s)
      Hideaki Takano, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita
    • Organizer
      The 2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] General Synthesis of Trialkylsilylboranes and Their Use as Silicon Nucleophiles2021

    • Author(s)
      Koji Kubota, Ryosuke Shishido, Minami Uesugi, Tsuyoshi Mita, Tatsuo Ishiyama, Hajime Ito
    • Organizer
      The 2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Remarks] 北海道大学化学反応創成研究拠点(WPI-ICReDD)

    • URL

      https://www.icredd.hokudai.ac.jp/ja/mita-tsuyoshi

    • Related Report
      2022 Annual Research Report 2021 Research-status Report
  • [Remarks] ERATO前田化学反応創成知能プロジェクト

    • URL

      https://www.jst.go.jp/erato/maeda/group/organic-synthesis/

    • Related Report
      2022 Annual Research Report 2021 Research-status Report
  • [Patent(Industrial Property Rights)] 化合物の新規製造方法、新規化合物および金属触媒2022

    • Inventor(s)
      美多 剛, 前田 理, 髙野 秀明
    • Industrial Property Rights Holder
      美多 剛, 前田 理, 髙野 秀明
    • Industrial Property Rights Type
      特許
    • Filing Date
      2022
    • Related Report
      2022 Annual Research Report
    • Overseas
  • [Patent(Industrial Property Rights)] エチレンを原料に用いた1,2-ビス(ジフェニルホスフィノ)エタン(DPPE)誘導体の合成法2021

    • Inventor(s)
      美多 剛、前田 理、髙野秀明
    • Industrial Property Rights Holder
      美多 剛、前田 理、髙野秀明
    • Industrial Property Rights Type
      特許
    • Filing Date
      2021
    • Related Report
      2021 Research-status Report

URL: 

Published: 2021-07-13   Modified: 2024-01-30  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi