2,5-二甲基-3,4-二乙酰基-1-(3-硝基苯基)吡咯的合成及晶体结构

Synthesis and Crystal Structure of 2,5-dimethyl-3,4-diacetyl-1-(3-Nitrophenyl)pyrrol

在酸性介质中 ,3,4 二乙酰基 2 ,5 己二酮与硝基苯胺作用 ,满意地得到了 2 ,5 二甲基 3,4 二乙酰基 1 (硝基苯基 )吡咯 ,用IR、1HNMR、高分辨质谱等对其进行了表征 ,并用X射线衍射测定了2 ,5 二甲基 3,4 二乙酰基 1 (3 硝基苯基 )吡咯的晶体结构。该晶体属单斜晶系 ,P2 1/c空间群。晶体学数据如下 :a =0 .9375(1)nm ,b =1.2 814(2 )nm ,c =1.2 985(1)nm ,β =10 0 .96 (1)°,V =1.5315(3)nm3,Z =4 ,M =30 0 .31,Dc=1.30 2× 10 3kg/m3。

dimethyl 3,4 diacetyl 1 nitrophenyl pyrrol 3a 3c were synthesized in satisfactory yield through the reaction of 3,4 diacetyl 2,5 hexanedione with nitroaniline in acidity medium.The chemical structure was characterized by IR、 1HNMR and high resolution MS.The crystal structure of 2,5 dimethyl 3,4 diacetyl 1 (3 Nitrophenyl)pyrrol 3b was determined by X ray diffraction analysis.The crystal is monoclinic with space group P2 1/2c .The unit cell parameters are as follow: a =0.9375(1)nm, b =1.2814(2)nm, c =1.2985(1)nm, β = 100.96 (1)°, V =1.5315(3)nm 3, Z =4, M =300.31, D c =1.302×10 3kg/m 3。