The crystal structure and molecular structures of the title compound were determined using Xray analysis.The crystal belongs to monoclinic system with the space group P21/c,C21H20N4O2,with Mr=358...The crystal structure and molecular structures of the title compound were determined using Xray analysis.The crystal belongs to monoclinic system with the space group P21/c,C21H20N4O2,with Mr=35839,a=12845(3),b=19334(4),c=073112(5)nm,β=9443(3)°,V=18103(4)nm3,Z=4,DC=132Mg·m-3,μ=0088mm-1,and F(000)=752.The final discrepancy factor R1=01508,and S=0942.The result showed that the dihedral angles between the two pyrazolinone rings and phenyl rings were 1267 and 798°,which indicated that these two planes roughly coplanar to each other forming a big conjugate system.展开更多
通过水代替有机溶剂来提纯2-丙基-4,5-1 H-咪唑二羧酸二乙酯和4-(1-羟基-1-甲基乙基)-2-丙基-1 H-咪唑-5-羧酸乙酯的新方法,使得改进工艺更加绿色简便。采用1 H NMR、13 C NMR、IR、MS谱图对反应后的产品和未知杂质进行结构鉴定,确证为...通过水代替有机溶剂来提纯2-丙基-4,5-1 H-咪唑二羧酸二乙酯和4-(1-羟基-1-甲基乙基)-2-丙基-1 H-咪唑-5-羧酸乙酯的新方法,使得改进工艺更加绿色简便。采用1 H NMR、13 C NMR、IR、MS谱图对反应后的产品和未知杂质进行结构鉴定,确证为一水合4-(1-羟基-1-甲基乙基)-2-丙基-1 H-咪唑-5-羧酸乙酯和4-乙酰基-2-丙基-1 H-咪唑-5-羧酸乙酯。对反应的可能机理进行初步研究。展开更多
文摘The crystal structure and molecular structures of the title compound were determined using Xray analysis.The crystal belongs to monoclinic system with the space group P21/c,C21H20N4O2,with Mr=35839,a=12845(3),b=19334(4),c=073112(5)nm,β=9443(3)°,V=18103(4)nm3,Z=4,DC=132Mg·m-3,μ=0088mm-1,and F(000)=752.The final discrepancy factor R1=01508,and S=0942.The result showed that the dihedral angles between the two pyrazolinone rings and phenyl rings were 1267 and 798°,which indicated that these two planes roughly coplanar to each other forming a big conjugate system.
文摘通过水代替有机溶剂来提纯2-丙基-4,5-1 H-咪唑二羧酸二乙酯和4-(1-羟基-1-甲基乙基)-2-丙基-1 H-咪唑-5-羧酸乙酯的新方法,使得改进工艺更加绿色简便。采用1 H NMR、13 C NMR、IR、MS谱图对反应后的产品和未知杂质进行结构鉴定,确证为一水合4-(1-羟基-1-甲基乙基)-2-丙基-1 H-咪唑-5-羧酸乙酯和4-乙酰基-2-丙基-1 H-咪唑-5-羧酸乙酯。对反应的可能机理进行初步研究。
