3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,0(1.18),O(7,12)]docosane | 949033-54-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,0(1.18),O(7,12)]docosane
• 英文别名: (1S,3S,7R,12R,14R,18S)-3,14-dimethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosane
• CAS: 949033-54-9
• 化学式: C₂₀H₄₀N₄
• 分子量: 336.564
• InChiKey: RBELSYIYZCETRV-YUNYCSSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,0(1.18),O(7,12)]docosane 、 水 、 silver nitrate 以 甲醇 、 水 为溶剂， 以95%的产率得到[Ag(II)(3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,O(1.18),O(7.12)]docosane)][NO3]2*4H2O
  参考文献：
  名称：

  Structure and properties of a macrocyclic silver(II) supramolecular polymer

  摘要：

  A new silver(II) complex, {[Ag(L1)](NO(3))(2)center dot 4H(2)O}(n) (1) (L = 3,14-dimethyl-2,6,13,17-tetraazatricy-clo[ 14,4,0(1.18),0(7.12)] docosane) has been synthesized and structurally characterized by a combination of analytical, spectroscopic, electrochemical and X-ray diffraction methods. The complex 1 exhibits a 1D supramolecular polymer with the silver(II) macrocycle L1 and nitrate ions, where 1D chain is formed by hydrogen bonds between the two sets of pre-organized N-H groups of the macrocycle and nitrate ions. The lattice water molecules mediate to interconnect each 1D chain to form the 2D supramolecular sheet. In 1 the unusual high oxidation state of Ag(II) is stabilized by the tetraazamacrocyclic ligand L1. The cyclic voltammogram for 1 indicates that the electrochemical oxidation of [Ag(L1)](2+) is an irreversible process. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.04.033

文献信息

• Structure and properties of a macrocyclic silver(II) supramolecular polymer
  作者：Ja Ran Moon、Alan J. Lough、Yong Tae Yoon、Yeong Il Kim、Ju Chang Kim

  DOI：10.1016/j.ica.2010.04.033

  日期：2010.8

  A new silver(II) complex, [Ag(L1)](NO(3))(2)center dot 4H(2)O}(n) (1) (L = 3,14-dimethyl-2,6,13,17-tetraazatricy-clo[ 14,4,0(1.18),0(7.12)] docosane) has been synthesized and structurally characterized by a combination of analytical, spectroscopic, electrochemical and X-ray diffraction methods. The complex 1 exhibits a 1D supramolecular polymer with the silver(II) macrocycle L1 and nitrate ions, where 1D chain is formed by hydrogen bonds between the two sets of pre-organized N-H groups of the macrocycle and nitrate ions. The lattice water molecules mediate to interconnect each 1D chain to form the 2D supramolecular sheet. In 1 the unusual high oxidation state of Ag(II) is stabilized by the tetraazamacrocyclic ligand L1. The cyclic voltammogram for 1 indicates that the electrochemical oxidation of [Ag(L1)](2+) is an irreversible process. (C) 2010 Elsevier B.V. All rights reserved.