Cargando…

Microscopic mechanism of light-induced tetrazole-quinone 1,3-dipolar cycloaddition: a MS-CASPT2 theoretical investigation

Recently, experimentalists have developed a green and efficient method to synthesize pyrazole-fused quinones through light-induced tetrazole-quinone 1,3-dipole cycloadditions. However, the underlying microscopic mechanisms remain to be clarified. In this work, we have employed several electronic str...

Descripción completa

Detalles Bibliográficos
Autores principales:	He, Yang, Xu, Dong-Hui, Zhang, Yan-Jun, Zhang, Chun, Guo, Jian-Min, Li, Laicai, Liang, Xiao-Qin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9042216/ https://www.ncbi.nlm.nih.gov/pubmed/35493565 http://dx.doi.org/10.1039/d1ra04636e

Ejemplares similares

Light-initiated 1,3-dipolar cycloaddition between dehydroalanines and tetrazoles: application to late-stage peptide and protein modifications
por: Zhang, Mengqian, et al.
Publicado: (2023)

Understanding the 1,3‐Dipolar Cycloadditions of Allenes
por: Yu, Song, et al.
Publicado: (2020)

The Huisgen Reaction: Milestones of the 1,3‐Dipolar Cycloaddition
por: Breugst, Martin, et al.
Publicado: (2020)

Dynamic Catalytic Highly Enantioselective 1,3‐Dipolar Cycloadditions
por: Yildirim, Okan, et al.
Publicado: (2021)

An Overlooked Pathway in 1,3‐Dipolar Cycloadditions of Diazoalkanes with Enamines
por: Li, Le, et al.
Publicado: (2022)

Decarboxylative 1,3-dipolar cycloaddition of amino acids for the synthesis of heterocyclic compounds
por: Zhang, Xiaofeng, et al.
Publicado: (2023)

MS-CASPT2 Studies on the Photophysics of Selenium-Substituted Guanine Nucleobase
por: Fang, Ye-Guang, et al.
Publicado: (2019)

Cu(ii) immobilized on Fe(3)O(4)@HNTs–tetrazole (CFHT) nanocomposite: synthesis, characterization, investigation of its catalytic role for the 1,3 dipolar cycloaddition reaction, and antibacterial activity
por: Hajizadeh, Zoleikha, et al.
Publicado: (2020)

Additive-assisted regioselective 1,3-dipolar cycloaddition of azomethine ylides with benzylideneacetone
por: Peng, Chuqin, et al.
Publicado: (2014)

Triazol-substituted titanocenes by strain-driven 1,3-dipolar cycloadditions
por: Gansäuer, Andreas, et al.
Publicado: (2014)

Green Protocols in Heterocycle Syntheses via 1,3-Dipolar Cycloadditions
por: Martina, Katia, et al.
Publicado: (2019)

Strain-Promoted 1,3-Dipolar Cycloaddition of Cycloalkynes and Organic Azides
por: Dommerholt, Jan, et al.
Publicado: (2016)

Targeted 1,3-dipolar cycloaddition with acrolein for cancer prodrug activation
por: Pradipta, Ambara R., et al.
Publicado: (2021)

The 1,3‐Dipolar Cycloaddition: From Conception to Quantum Chemical Design
por: Beutick, Steven E., et al.
Publicado: (2022)

Mechanistic DFT Study of 1,3-Dipolar Cycloadditions of Azides with Guanidine
por: Antol, Ivana, et al.
Publicado: (2023)

1,3-Dipolar Cycloaddition Reactions of Substituted Benzyl Azides with Acetylenic Compounds
por: Abu-Orabi, Sultan T.
Publicado: (2002)

Enantioselective 1,3-Dipolar Cycloadditions of α-Methylene Lactams to Construct Spirocycles
por: Nishiura, Yuji, et al.
Publicado: (2023)

Activation of Dinitrogen as A Dipolarophile in 1,3-Dipolar Cycloadditions: A Theoretical Study Using Nitrile Imines as “Octet” 1,3-Dipoles
por: Montero-Campillo, M. Merced, et al.
Publicado: (2017)

Copper(I)-catalyzed asymmetric 1,3-dipolar cycloaddition of 1,3-enynes and azomethine ylides
por: Wang, Bo-Ran, et al.
Publicado: (2023)

An intramolecular relay catalysis strategy for Knoevenagel condensation and 1,3-dipolar cycloaddition domino reactions
por: Yuan, Xiaofeng, et al.
Publicado: (2019)

The IPEA dilemma in CASPT2
por: Zobel, J. Patrick, et al.
Publicado: (2017)

3-Benzoylisoxazolines by 1,3-Dipolar Cycloaddition: Chloramine-T-Catalyzed Condensation of α-Nitroketones with Dipolarophiles
por: Pan, Xinhui, et al.
Publicado: (2021)

Expanding Stereochemical and Skeletal Diversity Using Petasis Reactions and 1,3-Dipolar Cycloadditions
por: Muncipinto, Giovanni, et al.
Publicado: (2010)

Catalytic Enantioselective 1,3-Dipolar Cycloadditions of Azomethine Ylides for Biology-Oriented Synthesis
por: Narayan, Rishikesh, et al.
Publicado: (2014)

Bioorthogonal prodrug activation driven by a strain-promoted 1,3-dipolar cycloaddition
por: Matikonda, Siddharth S., et al.
Publicado: (2015)

A Diastereoselective Synthesis of Dispiro[oxindole-cyclohexanone]pyrrolidines by 1,3-Dipolar Cycloaddition
por: Anis’kov, Alexander, et al.
Publicado: (2017)

Synthesis of Pyrrolo[2,1-a]isoquinolines by Multicomponent 1,3-Dipolar Cycloaddition
por: Dumitrascu, Florea, et al.
Publicado: (2013)

MOF-Derived Cu@N-C Catalyst for 1,3-Dipolar Cycloaddition Reaction
por: Wang, Zhuangzhuang, et al.
Publicado: (2022)

Synthesis of 1-(2-Fluorophenyl)pyrazoles by 1,3-Dipolar Cycloaddition of the Corresponding Sydnones
por: Dumitrescu, Denisa, et al.
Publicado: (2021)

Thiophene-based donor–acceptor co-oligomers by copper-catalyzed 1,3-dipolar cycloaddition
por: Potratz, Stefanie, et al.
Publicado: (2012)

1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides with Carbonyl Dipolarophiles Yielding Oxazolidine Derivatives
por: Meyer, Adam G., et al.
Publicado: (2016)

1,3-Dipolar Cycloaddition in the Preparation of New Fused Heterocyclic Compounds via Thermal Initiation
por: Porubský, Martin, et al.
Publicado: (2016)

Telodendrimer-Based Macromolecular Drug Design using 1,3-Dipolar Cycloaddition for Applications in Biology
por: Yazdani, Hossein, et al.
Publicado: (2020)

“Cyclopropylidene Effect” in the 1,3-Dipolar Cycloaddition of Nitrones to Alkylidene Cyclopropanes: A Computational Rationalization
por: Briccolani-Bandini, Lorenzo, et al.
Publicado: (2021)

Gold Nanoparticles Modification with Liquid Crystalline Polybenzylic Dendrons via 1,3-Dipolar Cycloaddition
por: Ulloa, José Antonio, et al.
Publicado: (2022)

Diastereoselective Formal 1,3-Dipolar Cycloaddition of Trifluoroethyl Amine-Derived Ketimines Enables the Desymmetrization of Cyclopentenediones
por: Li, Lin-Qiang, et al.
Publicado: (2023)

Highly Efficient and Stereoselective Construction of Bispirooxindole Derivatives via a Three-Component 1,3-Dipolar Cycloaddition Reaction
por: Xu, Qin, et al.
Publicado: (2014)

Kinetics of the Strain-Promoted Oxidation-Controlled Cycloalkyne-1,2-quinone Cycloaddition: Experimental and Theoretical Studies
por: Escorihuela, Jorge, et al.
Publicado: (2017)

Novel Synthesis of Dihydroisoxazoles by p-TsOH-Participated 1,3-Dipolar Cycloaddition of Dipolarophiles withα-Nitroketones
por: Yang, Caiyun, et al.
Publicado: (2023)

Dimerization of propargyl and homopropargyl 6-azido-6-deoxy-glycosides upon 1,3-dipolar cycloaddition
por: Pietrzik, Nikolas, et al.
Publicado: (2008)

Cannot write session to /tmp/vufind_sessions/sess_0s8fkhq1qces6tsbm4jm97gtmh