2-(N-环己胺)-6-三氟甲氧基苯并噻唑的合成及其晶体结构

Synthesis and Crystal Structure of 2-( N-cyclohexylamine)-6-trifluoromethoxy-benzothiazole

以利鲁唑为原料,与硫酸肼经回流反应制得2-肼基-6-三氟甲氧基苯并噻唑(2);2经氯化亚砜氯代制得2-氯-6-三氟甲氧基苯并噻唑(3);3与环己胺经取代反应合成了新化合物2-(N-环己胺)-6-三氟甲氧基苯并噻唑(4),其结构经1H NMR,IR,元素分析和X-射线单晶衍射表征。4(CCDC:1 440 686)属三斜晶系,P-1空间群,晶胞参数a=10.617(3),b=13.607(4),c=16.619(5),V=2 201.83,Dc=1.422 g·cm-3,Z=6,R1=0.082 0,wR2=0.235 1。

Riluzole was firstly transformed into （6-trifluoromethoxy-benzothiazol-2-yl） -hydrazine, then was chloridized by SOC12 to obtain 2-chloro-6-trifluoromethoxy-benzothiazole （3）. The novel com- pound, 2-（ N-eyclohexylamine ） -6-trifluoromethoxy-benzothiazole （4）, was synthesized by substitution reaction of 3 with cyclohexylamine. The structure was characterized by ^1H NMR, IR, elemental analysis and X-ray single crystal diffraction. 4 （CCDC： 1 440 686） belongs to trielinic system, space group P-1 with a =10.617（3）A^°, b =13.607（4） A^°, c = 16. 619（5） A^°, v=2 201.8A^°3, Dc = 1.422 g·cm^-3 , Z =6, R1 =0.082 0, wR2 =0.235 1.