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April 29, 2026Organic Letters

DFT-Guided Photocatalytic C5-Selective Hydrodechlorination of 4,5-Dichloropyridazinones

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Authors

ZZZi-Han ZhuangQYQian YanZYZi-Qing Yu

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Overview

Mechanistic studies reveal enhanced selectivity and kinetic control in photocatalytic hydrodechlorination of 4,5-Dichloropyridazinones.

Key Points

  • Explore the photocatalytic hydrodechlorination of 4,5-Dichloropyridazinones to enhance selectivity.
  • Mechanistic studies were conducted to understand the reaction pathway.
  • Kinetic control was assessed using neutral DIPEA under mild conditions.
  • DFT calculations evaluated the bond strengths impacting selectivity.
  • The reaction exhibited high selectivity due to the weaker C5-Cl bond.
  • Single-electron transfer pathway was identified as the key mechanism.
  • DIPEA allowed the reaction to proceed effectively with a range of N2 substituents.

Cite This Study

Zhuang et al. (2026) studied this question.

synapsesocial.com/papers/69f154a4879cb923c4944e19https://doi.org/10.1021/acs.orglett.6c01393
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