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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
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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.
出处 《化学研究与应用》 CAS CSCD 北大核心 2005年第3期384-385,388,共3页 Chemical Research and Application
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参考文献4

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