Cp_(2)TiCl_(2) as a Lewis acid precursor and nicotinic acid as a ligand have been used synergistically for the one-pot synthesis of 2-(N-substituted amino)-1,4-naphthoquinones.This method establishes a general strateg...Cp_(2)TiCl_(2) as a Lewis acid precursor and nicotinic acid as a ligand have been used synergistically for the one-pot synthesis of 2-(N-substituted amino)-1,4-naphthoquinones.This method establishes a general strategy for the functionalization and conversion of C-H bonds of 1,4-naphthoquinones into C-N bonds,providing an effective route to synthesize 2-(N-substituted amino)-1,4-naphthoquinone with high yield under mild conditions.Additionally,the synergistic catalytic mechanism was investigated by 1H NMR titration experiments and LC-MS analysis,with experimental results sufficiently and consistently supporting the proposed mechanism of the catalytic cycle.展开更多
The C—H bond insertion reactions between benzyl methyl ether and CX 2(X=H, F, Cl) have been studied by using density functional theory at B3LYP/6 31G* level. The potential barriers for the C—H bond insertions in met...The C—H bond insertion reactions between benzyl methyl ether and CX 2(X=H, F, Cl) have been studied by using density functional theory at B3LYP/6 31G* level. The potential barriers for the C—H bond insertions in methyl group of benzyl methyl ether are 123.3 kJ/mol(X=Cl) and 240.4 kJ/mol(X=F), and those in benzyl group are 37.5 kJ/mol(X=Cl) and 112.2 kJ/mol(X=F) respectively. No potential barriers are present in both the insertion reactions with methylene group. The C—H bond insertion reactions between benzyl methyl ether and CX 2(X=H,F,Cl) take place primarily at α carbon of the benzyl group and the phenyl group promotes the C—H bond insertion by carbene at its neighboring α carbon more easily. [WT5HZ]展开更多
基金2024 Special Talent Introduction Projects of Key R&D Program of Ningxia Hui Autonomous Region(2024BEH04049)the 2024 Guyuan City Innovation-Driven Achievement Transformation Project(2024BGTYF01-47)2025 Ningxia Natural Science Foundation Program(2025AAC030624).
文摘Cp_(2)TiCl_(2) as a Lewis acid precursor and nicotinic acid as a ligand have been used synergistically for the one-pot synthesis of 2-(N-substituted amino)-1,4-naphthoquinones.This method establishes a general strategy for the functionalization and conversion of C-H bonds of 1,4-naphthoquinones into C-N bonds,providing an effective route to synthesize 2-(N-substituted amino)-1,4-naphthoquinone with high yield under mild conditions.Additionally,the synergistic catalytic mechanism was investigated by 1H NMR titration experiments and LC-MS analysis,with experimental results sufficiently and consistently supporting the proposed mechanism of the catalytic cycle.
文摘The C—H bond insertion reactions between benzyl methyl ether and CX 2(X=H, F, Cl) have been studied by using density functional theory at B3LYP/6 31G* level. The potential barriers for the C—H bond insertions in methyl group of benzyl methyl ether are 123.3 kJ/mol(X=Cl) and 240.4 kJ/mol(X=F), and those in benzyl group are 37.5 kJ/mol(X=Cl) and 112.2 kJ/mol(X=F) respectively. No potential barriers are present in both the insertion reactions with methylene group. The C—H bond insertion reactions between benzyl methyl ether and CX 2(X=H,F,Cl) take place primarily at α carbon of the benzyl group and the phenyl group promotes the C—H bond insertion by carbene at its neighboring α carbon more easily. [WT5HZ]
