DFT Study on the Mechanism of Phosphine-Catalyzed Ring-Opening Reaction of Cyclopropyl Ketone DOI
Xiaohan Yu, Yang Wang

Organic & Biomolecular Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

In the present study, mechanism, origin of chemoselectivity, and substituent effects phosphine-catalyzed ring-opening reaction cyclopropyl ketone have been investigated using DFT method. Multiple pathways, including formation hydrofluorenone, Cloke-Wilson product, cyclopenta-fused were studied compared. The computational results show that pathway for hydrofluorenone is most favorable one, which involves four processes: nucleophilic substitution to open three-membered ring, an intramolecular Michael addition enolate intermediate, [1,5]-proton transfer give ylide, Wittig deliver final product. For disclosing structural analysis local reactivity index performed. Moreover, also considered QTAIM analysis. current study would provide useful insights understanding chemoselective reactions.

Язык: Английский

Advances in organocatalytic asymmetric [3 + 3] cycloadditions: synthesis of chiral six-membered (hetero)cyclic compounds DOI

Ziqi Zhu,

Tian‐Zhen Li,

Sijia Liu

и другие.

Organic Chemistry Frontiers, Год журнала: 2024, Номер 11(19), С. 5573 - 5604

Опубликована: Янв. 1, 2024

This review has summarized the development of organocatalytic asymmetric [3 + 3] cycloadditions and given insights into remaining challenges to promote future this field.

Язык: Английский

Процитировано

18

Organocatalytic Enantioselective (4+2) Annulation of Cyclopropane Carbaldehydes with 2‐Mercapto‐1‐Arylethanones DOI
Neeraj Yadav, Arijit Hazra, Priyanka Singh

и другие.

Advanced Synthesis & Catalysis, Год журнала: 2024, Номер 366(5), С. 1113 - 1119

Опубликована: Янв. 23, 2024

Abstract Here, we report the organocatalytic enantioselective synthesis of dihydrothiopyran derivatives from trans racemic donor–acceptor cyclopropane carbaldehydes (DACCs) and 2‐mercapto‐1‐arylethanone via formal thio (4+2) cycloaddition involving thia‐Michael aldol condensation annulation. Mechanistic studies indicate a typical kinetic resolution (KR) is involved in this transformation, which results moderate yields enantiomeric ratios. Remarkably, method characterized by its one‐pot simplicity, mild reaction conditions, resilience towards air moisture interference.

Язык: Английский

Процитировано

6

Synthesis of Bridged Bicyclic Systems peri‐Annulated to the Indole Ring: Tropane‐Fused Indoles DOI

Sergey M. Antropov,

Sofiya A. Tokmacheva,

Ирина И. Левина

и другие.

Advanced Synthesis & Catalysis, Год журнала: 2024, Номер 366(12), С. 2784 - 2790

Опубликована: Апрель 23, 2024

Abstract Ytterbium triflate catalysed domino reaction of (3‐formyl‐4‐indolyl)‐derived donor‐acceptor cyclopropane with primary amines provides a simple approach to an unprecedented tetracyclic skeleton in which tropane system is peri ‐annulated indole core. This process involves the formation imine and its (3+2)‐cross‐cycloaddition moiety, yielding tropane‐fused core under mild conditions. These products are significant interest for pharmacology as potential hybrid molecules dual mode action.

Язык: Английский

Процитировано

5

Water-mediated dipole transfer and deoxygenation of nitrones: Experimental and computational mechanistic insights DOI

Divya Bharti,

Manpreet Kaur, Kamlesh K. Gurjar

и другие.

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141947 - 141947

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0

(3+2) Annulation of Donor–Acceptor Cyclopropanes with Difluoroenoxysilanes: Syntheses of gem-Difluorocyclopentenes via α,α-Difluoroketone Scaffolds DOI
Neeraj Yadav, Prabal Banerjee

The Journal of Organic Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Март 27, 2025

Herein, we present an acid- and base-mediated approach for ring opening of donor-acceptor cyclopropanes (DACs) followed by (3+2) annulation, yielding biologically relevant gem-difluorinated cyclopentenes via α,α-difluoroketone scaffolds. Fluorinated rings are essential building blocks in drug discovery materials research. This methodology has a broad substrate scope, is scalable, provides practical synthetic route to obtain value-added fluorinated compounds.

Язык: Английский

Процитировано

0

Strain-Releasing Hydrogenation of Donor–Acceptor Cyclopropanes and Cyclobutanes via Electrochemical Site Selective Carbonyl Reduction DOI

Nakshatra Banerjee,

Rakesh Kumar,

Biswadeep Manna

и другие.

The Journal of Organic Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Апрель 21, 2025

An acid or hydrogen gas-free electrochemical protocol is established for the hydrogenation of strained rings (cyclopropane and cyclobutane) at room temperature atmospheric pressure. The mechanistic study revealed that reaction was initiated via reduction carbonyl group. methodology highly specific toward such as cyclopropane cyclobutane, which exhibit broad functional group tolerance.

Язык: Английский

Процитировано

0

Ring-Opening of Donor-Acceptor Cyclopropane Diester for the Synthesis of Oxime Esters and 2,3-Dihydroazete Ester DOI
Prabal Banerjee, Neeraj Yadav,

Kritika Verma

и другие.

Synthesis, Год журнала: 2024, Номер 57(01), С. 91 - 98

Опубликована: Май 29, 2024

Abstract A simple and efficient approach for the synthesis of privileged oxime esters by employing donor-acceptor cyclopropane diesters (DACs) as one potential precursors is reported. The strategy involves Lewis acid catalyzed ring-opening DACs, resulting in an open-chain intermediate followed base-mediated construction corresponding a one-pot reaction. Moreover, process also features diethyl 4-(4-methoxyphenyl)azete-2,2(3H)-dicarboxylate.

Язык: Английский

Процитировано

1

DFT Study on the Mechanism of Phosphine-Catalyzed Ring-Opening Reaction of Cyclopropyl Ketone DOI
Xiaohan Yu, Yang Wang

Organic & Biomolecular Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

In the present study, mechanism, origin of chemoselectivity, and substituent effects phosphine-catalyzed ring-opening reaction cyclopropyl ketone have been investigated using DFT method. Multiple pathways, including formation hydrofluorenone, Cloke-Wilson product, cyclopenta-fused were studied compared. The computational results show that pathway for hydrofluorenone is most favorable one, which involves four processes: nucleophilic substitution to open three-membered ring, an intramolecular Michael addition enolate intermediate, [1,5]-proton transfer give ylide, Wittig deliver final product. For disclosing structural analysis local reactivity index performed. Moreover, also considered QTAIM analysis. current study would provide useful insights understanding chemoselective reactions.

Язык: Английский

Процитировано

1