Nickel-Catalyzed Defluorinative Asymmetric Cyclization of Trifluoromethyl-Substituted 1,6-Enynes: Insights from Dft Calculations on the Reaction Mechanism and Selectivity DOI
Qiang Zhang, Jinzhao Wang,

Rongxiu Zhu

и другие.

Опубликована: Янв. 1, 2024

Density functional theory (DFT) calculations were employed to elucidate the mechanism and selectivity of nickel-catalyzed defluorinative asymmetric cyclization reactions trifluoromethyl-substituted 1,6-enynes. The results indicate that product is formed via a stepwise addition mechanism, including sequential steps ligand coordination, transmetalation, exchange, alkyne insertion, olefin β-F elimination, another final exchange. regioselectivity primarily governed by insertion step, where electrostatic interactions strongly favor 1,2-insertion carbon-carbon triple bond over 2,1-insertion. enantioselectivity largely determined during step with (S)-product forming preferentially (R)-product due stronger non-covalent between substrate, minimal catalyst conformational distortion, enhanced electronic substrate.

Язык: Английский

Photoredox/nickel dual-catalysis-enabled synthesis of N-heterocycles from alkyl chlorides and alkenes DOI

Xuege Yang,

Lou Shi, Ruoyu Qin

и другие.

Molecular Catalysis, Год журнала: 2024, Номер 553, С. 113806 - 113806

Опубликована: Янв. 1, 2024

Язык: Английский

Процитировано

6

Photoinduced C−O Bond Formation through C−C Bond Cleavage of Alcohols by Suppressing Alcohol Oxidation DOI
Qiang Wu, Peng Hu

Advanced Synthesis & Catalysis, Год журнала: 2024, Номер 366(7), С. 1595 - 1605

Опубликована: Фев. 3, 2024

Abstract Herein, we present a photoinduced deconstructive alkoxyamination of alkyl alcohols catalyzed by iron salts. This transformation involves the initiation alkoxy radicals through chlorine radical‐induced radical formation, followed β ‐scission and trapping resulting carbon with 2,2,6,6‐tetramethylpiperidin‐1‐yl (TEMPO). reaction exhibits broad substrate scope (40 examples), including primary secondary that are prone to oxidation combination TEMPO iron. Mechanistic investigations have revealed enhanced coordination chloride ion center inhibits OH process, thereby enabling tolerance alcohols.

Язык: Английский

Процитировано

6

Ring‐Opening Functionalization/Cyclization Reactions of Cycloalkanols under Transition‐Metal‐Free Conditions DOI

Wenjun Han,

Jun‐Long Zhan,

Fang‐Long Yang

и другие.

European Journal of Organic Chemistry, Год журнала: 2024, Номер 27(9)

Опубликована: Фев. 8, 2024

Abstract Cycloalkanols ring‐opening transformation is one of the most valuable and wide area research. Among numerous methods that have been developed, transition‐metal‐free approaches attracted great interest from both chemists pharmacologists. This largely due to advantages being environmentally benign, cost‐effective operationally simple. Here we provide a comprehensive outline on recent advances in synthesis distally substituted ketones cyclic compounds via cycloalkanols under conditions.

Язык: Английский

Процитировано

6

New Opportunities to Access Fluorinated Molecules Using Organophotoredox Catalysis via C(sp3)–F Bond Cleavage DOI Creative Commons
Sourav Roy, Tatiana Besset

JACS Au, Год журнала: 2025, Номер 5(2), С. 466 - 485

Опубликована: Фев. 7, 2025

Fluorinated molecules are of paramount importance because their unique properties. As a result, the search for innovative approaches to synthesis this class compounds has been relentless over years. Among these, combination photocatalysis and organofluorine chemistry turned out be an effective partnership access unattainable fluorinated molecules. This Perspective provides overview recent advances in synthesizing via organophotoredox-catalyzed defluorination process from trifluoromethylated compounds. It encompasses preparation difluoromethylated (hetero)arenes, amides, esters as well gem-difluoroalkene derivatives using C(sp3)–F bond activation or β-fragmentation. will highlight remaining challenges discuss future research opportunities.

Язык: Английский

Процитировано

0

Sulfones Bearing Perfluorinated Pyridine Group: Synthesis and Photocatalytic Reaction with α‐(Trifluoromethyl)styrenes DOI

Artem G. Savchenko,

Mikhail O. Zubkov, Vladimir A. Kokorekin

и другие.

ChemCatChem, Год журнала: 2023, Номер 15(12)

Опубликована: Апрель 28, 2023

Abstract A photocatalytic protocol for the reductive coupling of tetrafluoropyridyl‐substituted sulfones with α‐(trifluoromethyl)styrenes in presence zinc and sodium iodide is reported. Sulfones were obtained by oxidation corresponding sulfides catalyzed molybdenum or ruthenium salts. combination sulfonyl fragment electron depleting fluorinated pyridyl group a key feature determined properties these sulfones. Their propensity to undergo single reduction form donor‐acceptor complexes N ‐arylamines evaluated. Plausible pathways fragmentation radical anion generated after analyzed, pathway leading formation alkyl sulfinate was found preferable.

Язык: Английский

Процитировано

9

Organophotoredox-Catalyzed Intermolecular Formal Grob Fragmentation of Cyclic Alcohols with Activated Allylic Acetates DOI

Wubing Zeng,

Xiaoyu Zhang,

Yinlei Zhang

и другие.

Organic Letters, Год журнала: 2023, Номер 25(31), С. 5869 - 5874

Опубликована: Июль 29, 2023

We have developed an efficient method that employs organophotoredox-catalyzed relay Grob fragmentation to facilitate the smooth ring-opening allylation of cyclic alcohols in environmentally friendly manner. This protocol directly incorporates a wide spectrum and activated allylic acetates into cross-coupling reaction, eliminating need for metal catalysts. The process yields variety distally unsaturated ketones with good excellent outcomes stereoselectivity, while acetic acid is sole byproduct.

Язык: Английский

Процитировано

4

Nickel-catalyzed defluorinative asymmetric cyclization of Trifluoromethyl-substituted 1,6-Enynes: Insights from DFT calculations on the reaction mechanism and selectivity DOI
Qiang Zhang, Jinzhao Wang, Rongxiu Zhu

и другие.

Molecular Catalysis, Год журнала: 2024, Номер 564, С. 114345 - 114345

Опубликована: Июнь 29, 2024

Язык: Английский

Процитировано

1

Nickel-Catalyzed Defluorinative Asymmetric Cyclization of Trifluoromethyl-Substituted 1,6-Enynes: Insights from Dft Calculations on the Reaction Mechanism and Selectivity DOI
Qiang Zhang, Jinzhao Wang,

Rongxiu Zhu

и другие.

Опубликована: Янв. 1, 2024

Density functional theory (DFT) calculations were employed to elucidate the mechanism and selectivity of nickel-catalyzed defluorinative asymmetric cyclization reactions trifluoromethyl-substituted 1,6-enynes. The results indicate that product is formed via a stepwise addition mechanism, including sequential steps ligand coordination, transmetalation, exchange, alkyne insertion, olefin β-F elimination, another final exchange. regioselectivity primarily governed by insertion step, where electrostatic interactions strongly favor 1,2-insertion carbon-carbon triple bond over 2,1-insertion. enantioselectivity largely determined during step with (S)-product forming preferentially (R)-product due stronger non-covalent between substrate, minimal catalyst conformational distortion, enhanced electronic substrate.

Язык: Английский

Процитировано

0