1-(2-ethoxyphenyl)-3-(2-cyanophenyl)triazene | 1394929-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-ethoxyphenyl)-3-(2-cyanophenyl)triazene
• 英文别名: 2-[(2-Ethoxyanilino)diazenyl]benzonitrile；2-[(2-ethoxyanilino)diazenyl]benzonitrile
• CAS: 1394929-99-7
• 化学式: C₁₅H₁₄N₄O
• 分子量: 266.302
• InChiKey: TWGDTTNRZWYFCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  69.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-ethoxyphenyl)-3-(2-cyanophenyl)triazene 、 mercury(II) nitrate 以 甲醇 为溶剂， 反应 1.0h， 生成 Hg(1-(2-ethoxyphenyl)-3-(2-cyanophenyl)triazene)2
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of HgII complexes with asymmetric ortho-functionalized 1,3-bis(aryl)triazenide ligands

  摘要：

  The synthesis of two [Hg(L1)(2)] and [Hg(L2)(2)] complexes using asymmetric triazenes as ligands are reported. The triazene ligands are substituted with cyano and chloride groups in the ortho positions of the aryl rings (where HL1 and HL2 are 1-(2-ethoxyphenyl)-3-(2-cyanophenyl)triazene and 1-(2-ethoxyphenyl)-3-(2-chlorophenyl) triazene, respectively). These complexes were prepared by the reaction of corresponding triazenes with Hg(NO3)(2) and were characterized by FT-IR, NMR, elemental and single crystal X-ray analyses. Both triazene ligands were found to deprotonate on coordination and act as tridentate chelating ligands forming distorted N4O2 octahedral geometry around Hg-II atoms. Hydrogen bonds, pi center dot center dot center dot pi and C-H center dot center dot center dot pi stacking interactions help to the stabilization of the resulted frameworks. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.045
• 作为产物：
  描述：

  氨基苯乙醚 、 2-氨基苯甲腈 在 盐酸 、 sodium acetate 、 sodium nitrite 作用下， 以 水 、 甲醇 为溶剂， 反应 24.5h， 生成 1-(2-ethoxyphenyl)-3-(2-cyanophenyl)triazene
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of HgII complexes with asymmetric ortho-functionalized 1,3-bis(aryl)triazenide ligands

  摘要：

  The synthesis of two [Hg(L1)(2)] and [Hg(L2)(2)] complexes using asymmetric triazenes as ligands are reported. The triazene ligands are substituted with cyano and chloride groups in the ortho positions of the aryl rings (where HL1 and HL2 are 1-(2-ethoxyphenyl)-3-(2-cyanophenyl)triazene and 1-(2-ethoxyphenyl)-3-(2-chlorophenyl) triazene, respectively). These complexes were prepared by the reaction of corresponding triazenes with Hg(NO3)(2) and were characterized by FT-IR, NMR, elemental and single crystal X-ray analyses. Both triazene ligands were found to deprotonate on coordination and act as tridentate chelating ligands forming distorted N4O2 octahedral geometry around Hg-II atoms. Hydrogen bonds, pi center dot center dot center dot pi and C-H center dot center dot center dot pi stacking interactions help to the stabilization of the resulted frameworks. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.045

文献信息

• Synthesis, characterization and crystal structures of HgII complexes with asymmetric ortho-functionalized 1,3-bis(aryl)triazenide ligands
  作者：Mohammad Kazem Rofouei、Jafar Attar Gharamaleki、Mohammad Reza Melardi、Seyed Mahdi Hosseini、Fatemeh Hosseinzadeh、Mitra Peyman、Atefeh Ghannadan、Behrouz Notash、Giuseppe Bruno、Hadi Amiri Rudbari

  DOI：10.1016/j.poly.2012.06.045

  日期：2012.8

  The synthesis of two [Hg(L1)(2)] and [Hg(L2)(2)] complexes using asymmetric triazenes as ligands are reported. The triazene ligands are substituted with cyano and chloride groups in the ortho positions of the aryl rings (where HL1 and HL2 are 1-(2-ethoxyphenyl)-3-(2-cyanophenyl)triazene and 1-(2-ethoxyphenyl)-3-(2-chlorophenyl) triazene, respectively). These complexes were prepared by the reaction of corresponding triazenes with Hg(NO3)(2) and were characterized by FT-IR, NMR, elemental and single crystal X-ray analyses. Both triazene ligands were found to deprotonate on coordination and act as tridentate chelating ligands forming distorted N4O2 octahedral geometry around Hg-II atoms. Hydrogen bonds, pi center dot center dot center dot pi and C-H center dot center dot center dot pi stacking interactions help to the stabilization of the resulted frameworks. (C) 2012 Elsevier Ltd. All rights reserved.