CAJ | 학술논문

以乙腈和芳基腈为原料,经过醚化、环化和还原三步方便且有效地合成了3-芳基-6-甲基-1,6-二氢-1,2,4,5-四嗪,并在此基础上合成了一系列新的3-芳基-6-甲基-1,6-二氢-1,2,4,5-四嗪衍生物,通过元素分析,~1H NMR,IR和HRMS对这些化合物进行了表征.对化合物N-邻甲基苯-3-苯基-6-甲基-1,6-二氢-1,2,4,5-四嗪-1.甲酰胺(5a)的X射线晶体衍射研究表明:其属于单斜晶系,P2_1/c空间群,晶胞参数a=1.3941(6)mm,b=0.5675(2)nam,c=2.0614(8)nm;α=γ=90°,β=102.055(6)°;V=1.5949(11)nm~3,此类化合物的四嗪环采用不对称船式结构,且具有同芳香性.
이을정화방기정위원료,경과미화、배화화환원삼보방편차유효지합성료3-방기-6-갑기-1,6-이경-1,2,4,5-사진,병재차기출상합성료일계렬신적3-방기-6-갑기-1,6-이경-1,2,4,5-사진연생물,통과원소분석,~1H NMR,IR화HRMS대저사화합물진행료표정.대화합물N-린갑기분-3-분기-6-갑기-1,6-이경-1,2,4,5-사진-1.갑선알(5a)적X사선정체연사연구표명:기속우단사정계,P2_1/c공간군,정포삼수a=1.3941(6)mm,b=0.5675(2)nam,c=2.0614(8)nm;α=γ=90°,β=102.055(6)°;V=1.5949(11)nm~3,차류화합물적사진배채용불대칭선식결구,차구유동방향성.
A convenient and effective method was developed from the starting materials acetonitrile and aryl nitrile via three steps to synthesize 3-aryl-6-methyl-1,6-dihydro-1,2,4,5-tetrazines. On the basis of which, some 3-aryl-6-methyl-1,6-dihydro-1,2,4,5-tetrazine derivatives were synthesized and characterized by elemental analysis,~1H NMR, IR and HRMS techniques. The X-ray single crystal diffraction study of 6-methyl-3-phenyl-N-(2-tolyl)-1,6-dihydro-1,2,4,5-tetrazine-1-carboxamide (5a) indicates that 5a belongs to a monoclinic system, with a=1.3941(6) nm, b=0.5675(2) nm, c=2.0614(8) nm; α=γ=90°, β=102.055(6)°; V= 1.5949(11) nm~3. The central tetrazine ring adopts an unsymmetrical boat structure. It could be considered that the molecule had a homoaromaticity.