三种2-羟基-1-萘醛酰腙的晶体结构、热分解及其与CT-DNA的相互作用（英文）  

Crystal Structure, Thermal Decomposition and Interaction with CT-DNA of Three 2-Hydroxy-1-naphthaldehyde Acyl Hydrazones

作　　者：赵顺省[1] 李兰兰[1] 刘向荣[1] 丁作成 杨再文[1] ZHAO Shun-Sheng LI Lan-Lan LIU Xiang-Rong DING Zuo-Cheng YANG Zai-Wen(College of Chemistry and Chemical Engineering, Xi＇an University of Science and Technology, Xi＇an 710054, P. R. China)

机构地区：[1]西安科技大学化学与化工学院,西安710054

出　　处：《物理化学学报》2017年第2期356-363,共8页Acta Physico-Chimica Sinica

基　　金：supported by the National Natural Science Foundation of China(21103135,21073139,21301139);Natural Science Basic Research Plan in Shaanxi Province,China(2016JM2011);Scientific Research Program Funded by Shaanxi Provincial Education Commission,China(15JK1492)~~

摘　　要：合成了2-羟基萘醛苯乙酰腙(1)、2-羟基萘醛-4-羟基苯乙酰腙(2)和2-羟基萘醛-2-甲氧基苯乙酰腙(3)三种新型酰腙化合物,通过单晶X射线衍射(XRD)、元素分析和傅里叶变换红外(FTIR)光谱对化合物结构进行了表征。单晶X射线衍射结果表明,化合物2和3结晶为单斜晶系,空间群C2/c。而化合物1结晶为正交晶系,空间群为Pbca。热重(TG)分析结果表明,化合物1、2、3分子骨架热分解的温度分别为318.23、319.04、323.01°C,对应的热分解过程表观活化能分别为115.90、145.18、129.38 k J?mol-1。微量热研究表明,三种酰腙及其前驱体酰肼与小牛胸腺脱氧核糖核酸(CT-DNA)相互作用均为吸热作用,但作用时间(1.00-50.0 min)和反应熵变(0.47-15.50 k J?mol-1)有较大的差异。化合物1和2与CT-DNA的反应焓变均大于其前驱体酰肼a和b与CT-DNA的反应焓变,而化合物3与CT-DNA的反应焓变却小于其前驱体酰肼c与CT-DNA的反应焓变。Three acyl hydrazones N＇-（（2-hydroxynaphthalen-1-yl）methylene）-2-phenylacetohydrazide （1）, N＇-（（2-hydroxynaphthalen-1-yl）methylene）-2.（4-hydroxyphenyl）acetohydrazide hydrate （2）, and N＇-（（2- hydroxynaphthalen-1-yl）methylene）-2-（2-methoxyphenyl）acetohydrazide hydrate （3） were synthesized and then characterized by elemental analysis and single-crystal X-ray diffraction. The crystallographic data indicated that both compounds 2 and 3 crystallized Jn the monoclinic crystal lattice, space group C2/c, while compound 1 crystallized in the orthorhombic space group Pbca. The thermal decomposition processes of the three hydrazones were studied by thermogravimetry. The thermal decomposition temperatures of compounds 1, 2, and 3 were 318.23, 319.04, and 323.01℃, respectively. Meanwhile, the apparent activation energies for thermal decomposition for compounds 1, 2, and 3 were 115.90,145.18, and 129.38 kJ·mol-^1, respectively, calculated according to the Kissinger and Ozawa equations. The interactions of compounds 1-3 with calf thymus （CT）-DNA were evaluated by microcalorimetry. The results indicated these interactions were homogenous endothermic processes with non-identical interaction time （1.00- 50.0 rain） and interaction enthalpies （0.47-15.50 kJ·mol-^1）. The interaction enthalpies of compounds 1 and 2 were higher than those of their precursors, while the interaction enthalpy of compound 3 was lower than that of its precursor.

关 键 词：酰腙 晶体结构 热重 微量热 DNA作用 

分 类 号：O621.1[理学—有机化学]