Theoretical study of electronic structure and ionization spectrum of γ-pyrone DOI
А. Б. Трофимов, Э. К. Якимова, Е. В. Громов

и другие.

Журнал органической химии, Год журнала: 2023, Номер 59(10), С. 1363 - 1374

Опубликована: Дек. 15, 2023

Язык: Английский

Theoretical Study of the Electronic Structure and Ionization Spectrum of γ-Pyrone DOI Creative Commons
А. Б. Трофимов, Э. К. Якимова, Е. В. Громов

и другие.

Russian Journal of Organic Chemistry, Год журнала: 2023, Номер 59(10), С. 1714 - 1724

Опубликована: Окт. 1, 2023

Abstract The electronic structure and ionization spectrum of γ-pyrone (4 H -pyran-4-one) were calculated using the third-order algebraic diagrammatic construction method for single-particle Green function [IP-ADC(3)] some other high-level quantum chemical methods. results calculations used to interpret its recently recorded photoelectron spectra. New assignments have been proposed nature a series maxima located above 12 eV, where, according calculations, one-electron pattern is disturbed due electron correlation effects. obtained significantly change interpretation available in literature.

Язык: Английский

Процитировано

1
Indium-Mediated Preparation of Bis(α-hydroxyallenes) or α,α′-Dihydroxyallenynes and Further Gold-Catalyzed Cyclizations DOI Creative Commons
Teresa Martínez del Campo,

Daniel San Martín,

Laura Gamarra

и другие.

The Journal of Organic Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Сен. 17, 2024

We present the regio- and diastereoselective Barbier-type allenylation reaction of glyoxals mediated by indium to furnish highly valuable

Язык: Английский

Процитировано

0
Synergistic Rh(II)- and Zn(II)-Catalyzed [3 + 3] Annulation of Diazoenals and α-Hydroxy Ketones for the Direct Synthesis of 2H-Pyrans, A Gateway Toward γ-Pyrones DOI
Pratap Kumar Mandal, Sreenivas Katukojvala

Organic Letters, Год журнала: 2024, Номер 26(43), С. 9227 - 9232

Опубликована: Окт. 21, 2024

A new synergistic Rh(II)/Zn(II)-catalyzed [3 + 3] annulation has been developed between diazoenals and α-hydroxy ketones enabling the direct synthesis of 4-formyl-2H-pyrans. The reaction involves formation protic oxonium ylides from highly electrophilic Rh-enalcarbenoids followed by Zn-templated regioselective intramolecular aldol condensation. Subsequent investigations demonstrated that 4-formyl-2H-pyrans are unique precursors γ-pyrones. γ-pyrones were obtained via Et3N-mediated oxidative deformylation. Further, triflic-acid-promoted double Schmidt provides synthetically important carboxamide-substituted 4-cyano 2H-pyrans.

Язык: Английский

Процитировано

0
Synthesis of Rapicone Based on Acyl Ketene–Alkyne Cycloaddition DOI
Erandi Liyanage Perera, Daesung Lee

The Journal of Organic Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 20, 2024

We report herein a concise route for the total synthesis of rapicone. The key strategy to form ynone intermediate involves an Fe(III)/TEMPO-catalyzed aerobic oxidation 1,3-dihydroisobenzofuran moiety. This ether simultaneous installation keto aldehyde allowed effective formation required intermediate. rapicone is substantiated by unique formal [4 + 2] cycloaddition acyl ketene with alkynone and completed in 7 steps 9.4% overall yield.

Язык: Английский

Процитировано

0
Six-membered ring systems: With O and/or S atoms DOI
Clementina M.M. Santos, Artur M. S. Silva

Progress in heterocyclic chemistry, Год журнала: 2023, Номер unknown, С. 493 - 568

Опубликована: Янв. 1, 2023

Язык: Английский

Процитировано

0
Theoretical study of electronic structure and ionization spectrum of γ-pyrone DOI
А. Б. Трофимов, Э. К. Якимова, Е. В. Громов

и другие.

Журнал органической химии, Год журнала: 2023, Номер 59(10), С. 1363 - 1374

Опубликована: Дек. 15, 2023

Язык: Английский

Процитировано

0