应用化学
應用化學
응용화학
CHINESE JOURNAL OF APPLIED CHEMISTRY
2010年
4期
432-436
,共5页
刘艳珠%李永绣%李霞%张玲
劉豔珠%李永繡%李霞%張玲
류염주%리영수%리하%장령
硝酸铁%硝化%水杨酸甲酯%量子化学计算
硝痠鐵%硝化%水楊痠甲酯%量子化學計算
초산철%초화%수양산갑지%양자화학계산
iron(Ⅲ) nitrate%nitration%methyl salicylate%quatum chemical computation
用硝酸铁对水杨酸甲酯硝化合成了3-硝基水杨酸甲酯和5-硝基水杨酸甲酯.考察了反应时间、反应物配比、反应溶液酸碱性对产物收率和位置选择性的影响.得出较好的反应条件为:反应时间3 h,n(硝酸铁): n(水杨酸甲酯)=2: 3.少量硝酸有利于硝基化反应,且优先生成5-硝基水杨酸甲酯,而碱性不利于硝基化反应,且优先生成3-硝基水杨酸甲酯.用量化计算解释了硝化反应的位置选择性机理.
用硝痠鐵對水楊痠甲酯硝化閤成瞭3-硝基水楊痠甲酯和5-硝基水楊痠甲酯.攷察瞭反應時間、反應物配比、反應溶液痠堿性對產物收率和位置選擇性的影響.得齣較好的反應條件為:反應時間3 h,n(硝痠鐵): n(水楊痠甲酯)=2: 3.少量硝痠有利于硝基化反應,且優先生成5-硝基水楊痠甲酯,而堿性不利于硝基化反應,且優先生成3-硝基水楊痠甲酯.用量化計算解釋瞭硝化反應的位置選擇性機理.
용초산철대수양산갑지초화합성료3-초기수양산갑지화5-초기수양산갑지.고찰료반응시간、반응물배비、반응용액산감성대산물수솔화위치선택성적영향.득출교호적반응조건위:반응시간3 h,n(초산철): n(수양산갑지)=2: 3.소량초산유리우초기화반응,차우선생성5-초기수양산갑지,이감성불리우초기화반응,차우선생성3-초기수양산갑지.용양화계산해석료초화반응적위치선택성궤리.
The nitration of methyl salicylate by iron(Ⅲ) nitrate was studied to obtain 3-nitrosalicylate and 5-nitrosalicylate. The effects of reaction time, molar ratio of iron(Ⅲ) nitrate to methyl salicylate, acidity and basicity on the yield and regioselectivity were reported. When the reaction time is 3 h and the molar ratio of iron(Ⅲ) nitrate to methyl salicylate is 2: 3, the yield is the highest. Furthermore, a small amount nitric acid is beneficial to the nitration and the formation of 5-nitrosalicylate, whereas a small amount base is not benefiical to the nitration but to the formation of 3-nitrosalicylate under a strong base condition. The regioselectivity was explained by the quatum chemical computations.