论文部分内容阅读
本文使用氯乙酸乙酯和对羟基肉桂酸为原料,合成并纯化、重结晶得到一种新的无色棒状晶体化合物3-(4-(2-乙氧基-2-氧代乙氧基)苯基)丙烯酸(E)-2-乙氧基-2-氧乙基酯(EOPA)。EOPA的结构通过质谱和X-射线单晶衍射确认。结果显示,该晶体为三斜晶系,空间群为P1,其他相关晶体参数:a=8.835(5),b=13.707(8),c=15.265(9),α=92.087(7)°,β=104.289(7)°,γ=104.471(7)°,V=1725.0(17)3,晶胞中分子数Z=4,F(000)=712.0,晶体密度Dc=1.295mg/m3,化合物分子量Mr=μ=336.33。采用C80微量热计测试获得对应的反应常数(k),反应级数(n)和吉布斯自由能(ΔGΘ≠),数据显示EOPA与人血清白蛋白的结合与EOPA与肝素钠的结合相似。
In this paper, chloroacetic acid ethyl ester and p-hydroxycinnamic acid were used as raw materials, synthesized and purified, and recrystallized to obtain a new colorless crystalline compound 3- (4- (2-ethoxy-2-oxoethoxy) Phenyl) acrylic acid (E) -2-ethoxy-2-oxoethyl ester (EOPA). The structure of EOPA was confirmed by mass spectroscopy and X-ray single crystal diffraction. The results show that the crystal is triclinic with space group P1 and other related crystal parameters: a = 8.835 (5) , b = 13.707 (8) , c = 15.265 ), Β = 104.289 (7) °, γ = 104.471 (7) °, V = 1725.0 (17) 3. The number of molecules in the unit cell is Z = 4, F (000) = 712.0 and the crystal density Dc is 1.295 mg / m3, compound molecular weight Mr = μ = 336.33. The corresponding reaction constant (k), reaction order (n) and Gibbs free energy (ΔGΘ ≠) were obtained using the C80 microcalorimeter test. The data show that the binding of EOPA to human serum albumin is similar to the binding of EOPA to heparin sodium .