N-[4-(hexanoylamino)-6-[4-(2-trimethylsilylethynyl)phenyl]-1,3,5-triazin-2-yl]hexanamide | 1268611-45-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[4-(hexanoylamino)-6-[4-(2-trimethylsilylethynyl)phenyl]-1,3,5-triazin-2-yl]hexanamide
• CAS: 1268611-45-5
• 化学式: C₂₆H₃₇N₅O₂Si
• 分子量: 479.698
• InChiKey: AFYYHBDEPCQDSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.81
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[4-(hexanoylamino)-6-[4-(2-trimethylsilylethynyl)phenyl]-1,3,5-triazin-2-yl]hexanamide 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以82%的产率得到HCC(C₆H₄)C₃N₃(NHC(O)C₅H₁₁)2
  参考文献：
  名称：

  Design of bis(acylamino)triazine containing ruthenium–acetylides as self-complementary supramolecular units

  摘要：

  A series of systematically varied 'rigid-rod' octahedral ruthenium-acetylide complexes, bearing conjugated bis(acylamino)triazine (DAT) substituents capable of ADAD-DADA pairing, of general formula trans-[(dppe)(2)Ru(Cl)(C C-C6H4-DAT(R)(2))] (R = Et, i-Pr, t-Bu, n-C5H11) have been synthesized and thoroughly characterized in solution by H-1 NMR and in the solid state. trans-[Ru(-C C-C6H4-DAT(R)(2))(2)(dppe)(2)] (R = n-C5H11) has also been designed to form discrete oligomeric chains in solution. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.047
• 作为产物：
  描述：

  4-溴苯腈 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二异丙胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙二醇乙醚 为溶剂， 反应 168.0h， 生成 N-[4-(hexanoylamino)-6-[4-(2-trimethylsilylethynyl)phenyl]-1,3,5-triazin-2-yl]hexanamide
  参考文献：
  名称：

  Design of bis(acylamino)triazine containing ruthenium–acetylides as self-complementary supramolecular units

  摘要：

  A series of systematically varied 'rigid-rod' octahedral ruthenium-acetylide complexes, bearing conjugated bis(acylamino)triazine (DAT) substituents capable of ADAD-DADA pairing, of general formula trans-[(dppe)(2)Ru(Cl)(C C-C6H4-DAT(R)(2))] (R = Et, i-Pr, t-Bu, n-C5H11) have been synthesized and thoroughly characterized in solution by H-1 NMR and in the solid state. trans-[Ru(-C C-C6H4-DAT(R)(2))(2)(dppe)(2)] (R = n-C5H11) has also been designed to form discrete oligomeric chains in solution. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.047