DFT-Assisted Atroposelective Construction of Indole-Fused N-Heteroaromatic Frameworks through Palladium-Catalyzed C–H Imidoylation DOI
Xilong Wang, Jiali Xu, Yu Luo

и другие.

ACS Catalysis, Год журнала: 2024, Номер 15(1), С. 201 - 210

Опубликована: Дек. 16, 2024

On the basis of density functional theory (DFT) calculations, we designed an asymmetric synthesis method for axially chiral biaryls through C(sp2)–H imidoylative cyclization isocyanides. Building on this, successfully synthesized compounds containing indole-fused N-heteroaromatic frameworks via palladium-catalyzed C–H imidoylation to achieve high yields and enantioselectivity. Various efficient pathways facilitated ring derivatives with either C–C or C–N axial chirality. This not only provides diverse strategy but also demonstrates that DFT-assisted design is a reliable tool accurately predicting reaction stereoselectivity effectively reducing workload chemical experiments.

Язык: Английский

Recent Advances in Palladium-Catalyzed Enantioselective Cyclization for the Construction of Atropisomers DOI Open Access
Xilong Wang, Wei Ren, Jingyi Zhang

и другие.

Catalysts, Год журнала: 2025, Номер 15(4), С. 320 - 320

Опубликована: Март 27, 2025

Axially chiral structures have become increasingly common in modern materials and pharmaceuticals, especially as ligands organocatalysts, highlighting their growing significance. In the field of pharmaceutical research, there are several notable examples worth highlighting, such antibiotics vancomycin, Knipholone, Mastigophorene A. Over past decade, availability axially compounds has significantly improved through advancements existing strategies introduction catalytic atroposelective synthesis concepts. These synthetic not only broaden scope chemical reactions, but also facilitate construction frameworks with high application value. Currently, various methods available for achieving stereoselective under catalyst control, including desymmetrization, (dynamic) kinetic resolution, cross-coupling de novo ring-forming synthesis. This paper focuses on recent advances constructing atropisomers palladium-catalyzed asymmetric cyclization strategies.

Язык: Английский

Процитировано

0

Recent advances in the catalytic asymmetric construction of axially chiral azole-based frameworks DOI
Weiwei Luo, Yu Zhang,

Meijun Ming

и другие.

Organic Chemistry Frontiers, Год журнала: 2024, Номер 11(23), С. 6819 - 6849

Опубликована: Янв. 1, 2024

This review highlights recent advances in the atroposelective preparation of axially chiral azole derivatives, emphasizing mechanistic insights and synthetic applications development this class five-membered heterocyclic frameworks.

Язык: Английский

Процитировано

2

Manganese-Catalyzed Asymmetric Hydrogenation for Atroposelective Dynamic Kinetic Resolution of Heterobiaryl Ketone N-Oxides DOI

Yin-Bo Wan,

Xiang‐Ping Hu

ACS Catalysis, Год журнала: 2024, Номер unknown, С. 17633 - 17641

Опубликована: Ноя. 15, 2024

An atroposelective dynamic kinetic resolution of configurationally labile heterobiaryl ketone N-oxides via Mn-catalyzed asymmetric hydrogenation has been disclosed. By use a structurally finely tuned chiral ferrocenyl P,N,N-ligand, the proceeds smoothly under mild conditions with simultaneous installation central and axial chirality, giving wide range atropisomeric 1-arylisoquinoline 2-arylpyridine bearing alcohol structure high diastereo- enantioselectivities. The diastereomer product could be readily prepared in stereospecific way complete inversion chirality Mitsunobu reaction. value this central- axial-chiral N-oxide scaffold is preliminarily demonstrated by its successful utility as catalyst allylation benzaldehyde allyltrichlorosilane.

Язык: Английский

Процитировано

2

Symmetric Anion Mediated Dynamic Kinetic Asymmetric Knoevenagel Reaction for N−C and N−N Atropisomers Synthesis DOI

Hongyu Qu,

Chenyang Huo,

Jimeng Ge

и другие.

Angewandte Chemie International Edition, Год журнала: 2024, Номер unknown

Опубликована: Авг. 21, 2024

A symmetric anion mediated dynamic kinetic asymmetric Knoevenagel reaction was established as a general and efficient method for accessing both N-C N-N atropisomers. The resulting highly enantio-pure pyridine-2,6(1H,3H)-diones exhibit diverse structures functional groups. key to excellent regio- remote enantiocontrol could be owed the hydrogen bond between enolate triflamide block of organocatalyst. This connected iminium cation by chiral backbone. mechanism investigation via control experiments, correlation analysis, density theory calculations further revealed how stereochemical information transferred from catalyst into axially pyridine-2,6(1H,3H)-diones. synthetic applications also demonstrated reaction's potential.

Язык: Английский

Процитировано

1

Symmetric Anion Mediated Dynamic Kinetic Asymmetric Knoevenagel Reaction for N−C and N−N Atropisomers Synthesis DOI

Hongyu Qu,

Chenyang Huo,

Jimeng Ge

и другие.

Angewandte Chemie, Год журнала: 2024, Номер 136(39)

Опубликована: Июль 3, 2024

Abstract A symmetric anion mediated dynamic kinetic asymmetric Knoevenagel reaction was established as a general and efficient method for accessing both N−C N−N atropisomers. The resulting highly enantio‐pure pyridine‐2,6(1 H ,3 )‐diones exhibit diverse structures functional groups. key to excellent regio‐ remote enantiocontrol could be owed the hydrogen bond between enolate triflamide block of organocatalyst. This connected iminium cation by chiral backbone. mechanism investigation via control experiments, correlation analysis, density theory calculations further revealed how stereochemical information transferred from catalyst into axially )‐diones. synthetic applications also demonstrated reaction's potential.

Язык: Английский

Процитировано

1

DFT-Assisted Atroposelective Construction of Indole-Fused N-Heteroaromatic Frameworks through Palladium-Catalyzed C–H Imidoylation DOI
Xilong Wang, Jiali Xu, Yu Luo

и другие.

ACS Catalysis, Год журнала: 2024, Номер 15(1), С. 201 - 210

Опубликована: Дек. 16, 2024

On the basis of density functional theory (DFT) calculations, we designed an asymmetric synthesis method for axially chiral biaryls through C(sp2)–H imidoylative cyclization isocyanides. Building on this, successfully synthesized compounds containing indole-fused N-heteroaromatic frameworks via palladium-catalyzed C–H imidoylation to achieve high yields and enantioselectivity. Various efficient pathways facilitated ring derivatives with either C–C or C–N axial chirality. This not only provides diverse strategy but also demonstrates that DFT-assisted design is a reliable tool accurately predicting reaction stereoselectivity effectively reducing workload chemical experiments.

Язык: Английский

Процитировано

1