Chemical communications (Cambridge, England). 2013 Nov 18;49(89):10486-8. doi: 10.1039/c3cc44648d Q24.22025

Computational characterization of a mechanism for the copper-catalyzed aerobic oxidative trifluoromethylation of terminal alkynes

铜催化末端乙炔基三氟甲氧基化反应机理的计算研究翻译改进

Jesús Jover¹, Feliu Maseras

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¹ Institute of Chemical Research of Catalonia (ICIQ), Avgda. Països Catalans 16, 43007 Tarragona, Spain. fmaseras@iciq.es.

DOI: 10.1039/c3cc44648d PMID: 24087833

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A reaction mechanism for the copper(i)-catalyzed oxidative aerobic trifluoromethylation of terminal alkynes has been determined by DFT calculations. The transmetalation of CF3(-) to copper appears to be a ligand replacement process independent of the metal. The dioxygen activation follows the sequence η(1)-superoxocopper(ii), μ-η(2):η(2)-peroxodicopper(ii) and bis(μ-oxo)-dicopper(iii). ... ...点击完成人机验证后继续浏览

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期刊名：Chemical communications

缩写：CHEM COMMUN

ISSN：1359-7345

e-ISSN：1364-548X

IF/分区：4.2/Q2

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Computational characterization of a mechanism for the copper-catalyzed aerobic oxidative trifluoromethylation of terminal alkynes

铜催化末端乙炔基三氟甲氧基化反应机理的计算研究翻译改进

Copper-Catalyzed Anti-Markovnikov Hydrosilylation of Terminal Alkynes

末端炔烃的铜催化反马氏加氢硅化反应

Copper-catalyzed aminothiolation of terminal alkynes with tunable regioselectivity

可调控区域选择性的末端炔烃与氨基硫醇的铜催化偶联反应

Copper-Catalyzed 1,1-Alkylmonofluoroalkylation of Terminal Alkynes with Diazo Compounds and 2-Fluoro-1,3-dicarbonyl Compounds: Access toward (E)-β-Monofluoroalkyl-β,γ-unsaturated Esters or Ketones

铜催化末端炔烃与叠氮化合物和2-氟-1,3-二羰基化合物的1,1-单烷基单氟烷基化反应：(E)-β-单氟烷基-β,γ-不饱和酯或酮类产物的合成

Synthesis of Stereodefined 1,1-Diborylalkenes via Copper-Catalyzed Diboration of Terminal Alkynes

铜催化末端炔烃双硼化合成立体定义明确的1,1-二硼基乙烯类化合物

Quick and highly efficient copper-catalyzed cycloaddition of organic azides with terminal alkynes

快速高效的有机叠氮化合物与终端乙炔的铜催化环加成反应

Enantioselective Synthesis of 3-Alkynyl-3-hydroxyindolin-2-ones by Copper-Catalyzed Asymmetric Addition of Terminal Alkynes to Isatins

手性铜催化剂催化靛红与末端炔烃的不对称加成反应合成3-烯基-3-羟基-3,4-二氢异吲哚-2-酮类化合物

Reaction progress kinetic analysis of a copper-catalyzed aerobic oxidative coupling reaction with N-phenyl tetrahydroisoquinoline

铜催化N-芳基四氢异喹啉类化合物气固反应耦合氧化偶联历程的动力学研究

Regioselective Synthesis of 2,4-Diaryl-6-trifluoromethylated Pyridines through Copper-Catalyzed Cyclization of CF3-Ynones and Vinyl Azides

通过铜催化CF3-炔酮和乙烯基叠氮的环化反应区域选择性合成2,4-二芳基-6-三氟甲基哒嗪

Computational characterization of a mechanism for the copper-catalyzed aerobic oxidative trifluoromethylation of terminal alkynes

铜催化末端乙炔基三氟甲氧基化反应机理的计算研究 翻译改进

Copper-Catalyzed Anti-Markovnikov Hydrosilylation of Terminal Alkynes

末端炔烃的铜催化反马氏加氢硅化反应

Copper-catalyzed aminothiolation of terminal alkynes with tunable regioselectivity

可调控区域选择性的末端炔烃与氨基硫醇的铜催化偶联反应

Copper-Catalyzed 1,1-Alkylmonofluoroalkylation of Terminal Alkynes with Diazo Compounds and 2-Fluoro-1,3-dicarbonyl Compounds: Access toward (E)-β-Monofluoroalkyl-β,γ-unsaturated Esters or Ketones

铜催化末端炔烃与叠氮化合物和2-氟-1,3-二羰基化合物的1,1-单烷基单氟烷基化反应：(E)-β-单氟烷基-β,γ-不饱和酯或酮类产物的合成

Synthesis of Stereodefined 1,1-Diborylalkenes via Copper-Catalyzed Diboration of Terminal Alkynes

铜催化末端炔烃双硼化合成立体定义明确的1,1-二硼基乙烯类化合物

Quick and highly efficient copper-catalyzed cycloaddition of organic azides with terminal alkynes

快速高效的有机叠氮化合物与终端乙炔的铜催化环加成反应

Enantioselective Synthesis of 3-Alkynyl-3-hydroxyindolin-2-ones by Copper-Catalyzed Asymmetric Addition of Terminal Alkynes to Isatins

手性铜催化剂催化靛红与末端炔烃的不对称加成反应合成3-烯基-3-羟基-3,4-二氢异吲哚-2-酮类化合物

Reaction progress kinetic analysis of a copper-catalyzed aerobic oxidative coupling reaction with N-phenyl tetrahydroisoquinoline

铜催化N-芳基四氢异喹啉类化合物气固反应耦合氧化偶联历程的动力学研究

Regioselective Synthesis of 2,4-Diaryl-6-trifluoromethylated Pyridines through Copper-Catalyzed Cyclization of CF3-Ynones and Vinyl Azides

通过铜催化CF3-炔酮和乙烯基叠氮的环化反应区域选择性合成2,4-二芳基-6-三氟甲基哒嗪

铜催化末端乙炔基三氟甲氧基化反应机理的计算研究翻译改进