| Synthesis,Bioactivity and Crystal Structure Analysis of Diisopropyl[（4-cyanopyrazol-3-ylamino）（2-hydroxyl-phenyl） methyl]phosphonate |
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| 引用本文： | 洪艳平,彭锦安,曹德榕.Synthesis,Bioactivity and Crystal Structure Analysis of Diisopropyl[（4-cyanopyrazol-3-ylamino）（2-hydroxyl-phenyl） methyl]phosphonate[J].结构化学,2011,30(1):37-42. |
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| 作者姓名： | 洪艳平 彭锦安 曹德榕 |
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| 作者单位： | School of Chemistry and Chemical Engineering;South China University of Technology;College of Food Science and Engineering;Laboratory of Plant Resource Exploitation and Utilization;Jiangxi Agricultural University; |
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| 基金项目： | Project supported by the Youth Foundation of Jiangxi Agricultural University (No.20051527) |
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| 摘 要： | The title compound,diisopropyl(4-cyanopyrazol-3-ylamino)(2-hydroxylphenyl) -methyl] phosphonate was synthesized by the addition reaction of diisopropyl phosphite and N-(4-cyanopyrazole-3-yl) -2-hydroxylphenyl-imine. Its structure was characterized by IR,1H NMR,elemental analysis and single-crystal X-ray diffraction. The crystal belongs to the triclinic system,space group P1 with a = 9.1840(13) ,b = 9.2278(13),c = 12.1952(17) ,α = 93.846(2) ,β = 90.947(2) ,γ = 111.289(2) °,V = 959.9(3) 3,Dc = 1.309 g/cm3,Z = 2,μ(MoKa) = 0.173,F(000) = 400,the final R = 0.0414 and wR = 0.1196 for 2985 observed reflections(I > 2σ(I)) . The pyrazole and benzene moieties are approximately coplanar in each case. The dihedral angle between planes 1 and 2 is 82.99°. The crystal structure is stabilized by three intermolecular hydrogen bonds of O(1) -H(1) …O(2) ,N(2) -H(2) …N(3) and N(2) -H(2) …O(1) . Preliminary bioassay indicated that the title compound possessed antiviral activity to some extent.
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| 关 键 词： | 晶体结构分析 生物活性 羟苯基 合成 膦酸 异丙酯 单晶X射线衍射 标题化合物 |
Synthesis, Bioactivity and Crystal Structure Analysis of Diisopropyl[(4-cyanopyrazol-3-ylamino)(2- hydroxyl-phenyl)methyl]phosphonate |
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| HONG Yan-Ping,PENG Jin-An,CAO De-Rong.Synthesis, Bioactivity and Crystal Structure Analysis of Diisopropyl[(4-cyanopyrazol-3-ylamino)(2- hydroxyl-phenyl)methyl]phosphonate[J].Chinese Journal of Structural Chemistry,2011,30(1):37-42. |
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| Authors: | HONG Yan-Ping PENG Jin-An CAO De-Rong |
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| Institution: | 1. School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, China;College of Food Science and Engineering, Laboratory of Plant Resource Exploitation and Utilization, Jiangxi Agricultural University, Nanchang 330045, China
2. School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, China |
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| Abstract: | The title compound, diisopropyl(4-cyanopyrazol-3-ylamino)(2-hydroxylphenyl)-methyl] phosphonate was synthesized by the addition reaction of diisopropyl phosphite and N-(4-cyanopyrazole-3-yl)-2-hydroxylphenyl-imine. Its structure was characterized by IR, 1H NMR, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with α= 9.1840(13), b=9.2278(13), c=12.1952(17) (A), α=93.846(2), β=90.947(2), γ=111.289(2)°, V= 959.9(3) A3, Dc =1.309 g/cm3, Z=2,μ(MoKa)=0.173, F(000)=400, the final R=0.0414 and wR=0.1196 for 2985 observed reflections (I＞2σ(I)). The pyrazole and benzene moieties are approximately coplanar in each case. The dihedral angle between planes 1 and 2 is 82.99°. The crystal structure is stabilized by three intermolecular hydrogen bonds of O(I)-H(1)…O(2), N(2)-H(2)…N(3) and N(2)-H(2)…O(1). Preliminary bioassay indicated that the title compound possessed antiviral activity to some extent. |
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| Keywords: | pyrazole crystal structure α-aminophosphonate antiviral activity |
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