Metal-free Synthesis Of Imidazole-free[1,5-a] Heterarene And Its Cyanoylation And Network Pharmacology Of Traditional Chinese Medicine

Imidazole[1,5-a]quinoline scaffolds were found in a variety of bioactive substances and play an important role in material chemistry and pharmaceutical industry.Organic chemists have long been searching for ways to obtain imidazole[1,5-a]quinoline.However,the existing methods had many shortcomings,so it is necessary to develop an effective green method to synthesize imidazole[1,5-a]quinoline.In this paper,a method for the direct synthesis of imidazole[1,5-a]quinoline compounds under metal-free conditions was developed,and the cyanyl group was introduced into it.The main contents are as follows:1.The oxidation of C-H amination by NaIO₄ directly cyclized to imidazole[1,5-a]quinolineIn this paper,a eco-friendly and efficient method for the synthesis of imidazole[1,5-a]quinoline was developed by using stoichiometric NaIO₄as catalyst and2-methylquinoline and benzylamine as substrates.The catalyst,additive and solvent were optimized,and the optimum yield was 81%.Secondly,we investigated the suitability of the substrate under optimal reaction conditions,and found that the reaction conditions were well tolerant to amino acids and various substrates,and a series of imidazole[1,5-a]quinoline derivatives were synthesized.Finally,the possible mechanism was discussed.This method used environmentally friendly NaIO₄,is economical and efficient,and had a wide range of substrate,which can provide ideas for industrial production.2.Synthesis of cyanidylated imidazole[1,5-a]quinoline catalyzed by I₂O₅A method for synthesis of cyanimidazole[1,5-a]quinoline from three components catalyzed by I₂O₅ has been developed.The reaction conditions were optimized and the cyanimidazole[1,5-a]quinoline derivatives were synthesized simultaneously.The possible mechanism was studied.Compared with previous methods,this method does not require the involvement of transition metals and oxygen,and is green,economical and pollution-free.3.The pharmacodynamic mechanism TCM in the treatment of COVID-19was analyzed based on systematic network pharmacologyThe bioactive components of JHQG-LHQW,disease-positive drugs and related disease targets were determined by database retrieval,literature mining and drug-like index screening respectively.Based on the cross-linking of the bioactive components of these two positive drug-disease potential targets,the key targets were identified.Then GO and KEGG pathway analysis were performed.On this basis,a virtual screening method was used to highlight the potential interaction between the two formulations and the core targets,and finally a bioactive component-target-pathway network diagram was constructed to explain the molecular structure characteristics of each active component.Finally,the pharmacodynamics of JHQG and LHQW against COVID-19 were compared systematically.Figure[50]table[13]reference[91]...