1,2-二[3-(6,8-二叔丁基-3,4-二氢-1,3-苯并噁嗪)基]乙烷的合成及晶体结构  

Synthesis,characterization and crystal structure of 1,2-bis[3-(6,8-di-tert-butyl-3,4-dihydro-2[H]-1,3-benzoxazine)-yl]ethane

作　　者：徐小平[1] 姚英明[1] 赵艺萍 张勇[1] 沈琪[1] 

机构地区：[1]苏州大学化学化工学院 [2]江阴市长泾中学,江苏江阴214411

出　　处：《化学研究与应用》2005年第3期384-385,388,共3页Chemical Research and Application

摘　　要：Reaction of 2,4-di-Eert-butyl-phenol,ethylenediamine and formaldehyde （37% solution in water）in 2:1:5molar ratio in methanol afforded the 1,2-bis[3-（6,8-di-tert-butyl-3,4-dihydro-2[H]-1,3-benzoxazine）-yl]ethane in high yields.This compound was fully characterized by elemental analysis,1H NMR,MS,and IR spectroscopies.The crystal structure of the title compound was determined by X-ray diffraction method.It crystallizes in triclinic,space group P（1）,a=0.5727（2）,b=0.9268（3）,c=1.4666（4）nm,a=88.12（1）°,β=88.54（1）°,γ=80.82（1）°,V=0.7679（4）nm3,Z=1,DC=1.126Mg·m-3,F（000）=286,μ（MoKα）=0.69cm-1,R=0.048,wR=0.140.This compound had a centrosymmetrical structure.Reaction of 2,4-di-Eert-butyl-phenol,ethylenediamine and formaldehyde (37% solution in water)in 2:1:5molar ratio in methanol afforded the 1,2-bis[3-(6,8-di-tert-butyl-3,4-dihydro-2[H]-1,3-benzoxazine)-yl]ethane in high yields.This compound was fully characterized by elemental analysis,~1H NMR,MS,and IR spectroscopies.The crystal structure of the title compound was determined by X-ray diffraction method.It crystallizes in triclinic,space group P(1),a=0.5727(2),b=0.9268(3),c=1.4666(4)nm,a=88.12(1)°,β=88.54(1)°,γ=80.82(1)°,V=0.7679(4)nm^3,Z=1,D_C=1.126Mg·m^(-3),F(000)=286,μ(MoK_α)=0.69cm^(-1),R=0.048,wR=0.140.This compound had a centrosymmetrical structure.

关 键 词：1 2-二[3-(6 8-二叔丁基-3 4-二氢-1 3-苯并噁嗪)基]乙烷 合成 晶体结构 

分 类 号：O723.6[理学—晶体学]