Results 81 to 90 of about 41,109 (281)

Domino Multicomponent Approach for the Synthesis of Functionalized Spiro-Indeno[1,2-b]quinoxaline Heterocyclic Hybrids and Their Antimicrobial Activity, Synergistic Effect and Molecular Docking Simulation

Molecules, 2019
An expedient synthesis of hitherto unexplored novel hybrid heterocycles comprising dispiropyrrolidine, N-styrylpiperidone and indeno[1,2-b]quinoxaline units has been developed via domino multicomponent 1,3-dipolar cycloaddition strategy employing a new ...
Abdulrahman I. Almansour, Natarajan Arumugam, Raju Suresh Kumar, Dhaifallah M. Al-thamili, Govindasami Periyasami, Karuppiah Ponmurugan, Naif Abdullah Al-Dhabi, Karthikeyan Perumal, Dhanaraj Premnath   +8 more
doaj   +1 more source

Catalysis in Click Chemistry Reactions Controlled by Cavity Quantum Vacuum Fluctuations: The Case of endo/exo Diels-Alder Reaction [PDF]

arXiv, 2022
Achieving control over chemical reaction's rate and stereoselectivity realizes one of the Holy Grails in chemistry that can revolutionize chemical and pharmaceutical industries. Strong light-matter interaction in optical or nanoplasmonic cavities might provide the knob to reach such control.
arxiv  

Mechanistic DFT Study of 1,3-Dipolar Cycloadditions of Azides with Guanidine

Molecules, 2023
Density functional calculations SMD(chloroform)//B3LYP/6-311+G(2d,p) were employed in the computational study of 1,3-dipolar cycloadditions of azides with guanidine. The formation of two regioisomeric tetrazoles and their rearrangement to cyclic aziridines and open-chain guanidine products were modeled.
Ivana Antol, Zoran Glasovac, Davor Margetić   +2 more
openaire   +4 more sources

Mini-Review: Organic catalysts in the 1,3-Dipolar cycloaddition reactions of nitrile oxides [PDF]

, 2019
In 1961, Huisgen categorized the nitrile oxides (NOs) as a member of a broader class of 1,3-dipoles that were capable of undergoing 1,3-dipolar cycloaddition (DC) reactions. Nevertheless, the cycloaddition (CA) reactions of NOs to alkenes and alkynes are
Plumet, Joaquín, Roscales, Silvia
core   +1 more source

Enantiomerically Enriched Aziridine‐2‐carboxylates via Copper‐Catalyzed Reductive Kinetic Resolution of 2H‐Azirines

Angewandte Chemie International Edition, Accepted Article.
We present the first reductive kinetic resolution of racemic 2H‐azirines to prepare optically enriched N‐H aziridine‐2‐carboxylates, which are bench stable and easily diversifiable building blocks, concomitantly with the corresponding enantiomerically enriched 2H‐azirines. The N‐H aziridines were obtained with excellent diastereoselectivity (>20:1) and
Yinuo Zheng, Elvis Wang Hei NG, Antonio Rizzo, Pauline Chiu   +3 more
wiley   +1 more source

Acyl Imidazole : A Promising Template for Asymmetric Lewis and Brønsted Acid Mediated 1,3-Dipolar Cycloadditions [PDF]

, 2011
Construction of chiral complex molecules continues to be a challenge for organic chemists all over the world and to address this challenge numerous methodologies have been developed.
Rane, Digamber Sadanand
core  

Regio- and stereoselective route to bis-[3-methyl-1,1′,4′-triaryl-5-oxo-spiro-pyrazoline-4,5′-pyrazoline] derivatives via 1,3-dipolar cycloaddition under sonication

Arabian Journal of Chemistry, 2018
Bis-[3-methyl-1,1′,4′-triaryl-5-oxo-spiro-pyrazoline-4,5′-pyrazoline] derivatives are synthesized regio- and stereoselectively via 1,3-dipolar cycloaddition of the bis-hydrazonoyl chlorides with 4-arylidenepyrazol-5-one derivatives.
Haider Behbehani, Kamal M. Dawood, Hamada Mohamed Ibrahim, Noha S. Mostafa   +3 more
doaj  

Electronic and Magnetic Properties of Small Fullerene Carbon Nanobuds: A DFT Study [PDF]

Material Research Express 5 (2018) 065032, 2020
The electronic and magnetic properties of carbon nanobuds have been investigated using density functional theory. The carbon nanobuds are formed by attaching smaller fullerenes (C20, C28, C36 and C40) of variable size with (5,5) ACNT and (5,0) ZCNT. Fullerenes interact strongly with CNT surface having binding energies within the range -0.93eV to -4 ...
arxiv  

Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions [PDF]

Journal of the American Chemical Society, 2019
The first approach to pyrazole-containing helicenes via sydnone-aryne [3 + 2]-cycloaddition is described. An unprecedented regioselectivity in the cycloaddition step toward the more sterically constrained product was observed in the presence of extended aromatic scaffolds. DFT calculations enabled understanding the origin of this unexpected selectivity.
Yen-Pon, Expédite, Champagne, Pier Alexandre, Plougastel, Lucie, Gabillet, Sandra, Thuéry, Pierre, Johnson, Mizuki, Muller, Gilles, Pieters, Grégory, Taran, Frédéric, Houk, K., Audisio, Davide   +10 more
openaire   +10 more sources

Allenylidene Phosphonium Ion: An Isoelectronic Phosphorus Analogue of [3]Cumulene

Angewandte Chemie International Edition, EarlyView.
We report the first isolobal and isoelectronic incorporation of a phosphorus atom into a [3]cumulene. This trigonal planar phosphonium allenylidene demonstrates exceptional Lewis acidity via a π* acceptor orbital and exhibits unique reactivity through a reversible intramolecular dearomative [2 + 2] cycloaddition reaction.
Lucas C. Torres, Pawel Löwe, Avik Bhattacharjee, Maike B. Röthel, Michael Seidl, Jesse LeBlanc, Klaus Wurst, Fabian Dielmann, Christopher B. Caputo   +8 more
wiley   +1 more source