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Activation of Aromatic Compounds through Metal pi-Coordination Powered by Machine Learning

Publicly Offered Research

Project AreaDigitalization-driven Transformative Organic Synthesis (Digi-TOS)
Project/Area Number 24H01101
Research Category

Grant-in-Aid for Transformative Research Areas (A)

Allocation TypeSingle-year Grants
Review Section Transformative Research Areas, Section (II)
Research InstitutionInstitute of Physical and Chemical Research

Principal Investigator

イリエシュ ラウレアン  国立研究開発法人理化学研究所, 環境資源科学研究センター, チームディレクター (40569951)

Project Period (FY) 2024-04-01 – 2026-03-31
Project Status Granted (Fiscal Year 2025)
Budget Amount *help
¥8,060,000 (Direct Cost: ¥6,200,000、Indirect Cost: ¥1,860,000)
Fiscal Year 2025: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2024: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Keywordsorganic synthesis / pi-coordination / C-H bond activation / C-Cl bond activation
Outline of Research at the Start

Abundant arenes and chloroarenes are of interest as starting materials in organic synthesis, but the strong C-H or C-Cl bond is difficult to cleave. The reactions to date either use specialized substrates, or require a highly active metal catalyst. The strategy proposed here aims at the activation of simple arenes and chloroarenes via transient pi-coordination to a catalytic amount of a metal fragment. The new strategy will enable the use of arenes and chloroarenes as substrates in organic synthesis, such as C-H functionalization, cross coupling, and radical reactions.

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Published: 2024-04-05   Modified: 2025-06-20  

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