三组份、一步法合成2%2c4-二甲基-3-苯亚甲基-1%2c5-苯并二氮杂（艹卓）化合物及3-酰基取代的1%2c5-苯并二氮杂（艹卓）化合物合成研究.pdf

行合成研究，其中针对3-COCH。取代的1，5一苯并二氮杂草化合物的合成，提出了三种 设计合成路线，对3-CH：COCH。取代的1，5一苯并二氮杂草化合物的合成提出了两种设计 合成路线，并对上述的设计合成路线进行实验研究，并在实验事实基础之上采用 反应进行了理论研究，对影响反应的电子效应进行了理论量化，直观的阐明这些反应的 特点，对反应机理进行解释，为以后的合成研究工作提供理论依据。 关键词：1，5一苯并二氮杂草一步法3一酰基DFT IV 万方数据 Abstract anditsderivativesremarkableattentionbecauseofits 1，5-benzodiazepines gain their in havebeenknownfor compounds applicationspharmaceuticals．These analgesic， SO haveresukedinnumerousrecent on,which anti-anxiety,hypnotic，anticonvulsant，and studies totheir ofthe methodsof pertainingsyntheses．Mostsynthesis benzodiazepines inarticlesare transformations．Therearedrawbacksinthesemethodssuch reported multi-step aS toxic harshreaction using organicsolvents，lowyields，and have reactionsgainedsignificant eco-friendly,solvent·free，multi-component,one-pot aSatoolforthe of importance synthesis1,5-benzodiazepines．An forthe of thesubstituted methodology synthesis WaS allthe were 1,5-benzodiazepinecompoundsproposed．Andproducts the about reactions alsostudied reaction paper synthesis DFT 1 level．Thereactionmechanismswere werediscussed methodonB3LYP／6-3G by frommicro explained perspective． Theiliaincontentandinnovationofthethesis： thefirst aneffici