3,6,14,17,23,24-hexaazatricyclo[17.3.1.18,12]tetracosa-1(23),8,10,12(24),19,21-hexaene,2,7,13,18-tetramethyl | 1012050-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3,6,14,17,23,24-hexaazatricyclo[17.3.1.18,12]tetracosa-1(23),8,10,12(24),19,21-hexaene,2,7,13,18-tetramethyl
• 英文别名: (2S,7S,13R,18R)-2,7,13,18-tetramethyl-3,6,14,17,23,24-hexazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
• CAS: 1012050-36-0
• 化学式: C₂₂H₃₄N₆
• 分子量: 382.552
• InChiKey: MTSWFYDXPSZFFJ-USTZCAOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  73.9
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,6,14,17,23,24-hexaazatricyclo[17.3.1.18,12]tetracosa-1(23),8,10,12(24),19,21-hexaene,2,7,13,18-tetramethyl 、 nickel(II) nitrate 以 乙腈 为溶剂， 以57%的产率得到[Ni(3,6,14,17,23,24-hexaazatricyclo[17.3.1.18,12]tetracosa-1(23),8,10,12(24),19,21-hexaene,2,7,13,18-tetramethyl)](NO3)2
  参考文献：
  名称：

  Ni(II) complexes of stereo-isomeric hexazamacrocyclic ligands derived from 2,6-diacetylpyridine

  摘要：

  The nitrate and perchlorate Ni(II) complexes of the stereo-isomeric hexazamacrocyclic ligands L-1(3,6,14,17,23,24-hexaazatricyclo[17,3,1,18,12]tetracosa-1(23),8,10,12(24),19,21-hexaene,2,7,13,18-tetramethyl) and L-2 (3,7,15,19,25,26-hexaazatricyclo[19,3,1,19,13]hexacosa-1(25),9,11,13(26),21,23-hexaene,2,8,14,20-tetramethyl) derived from 2,6-diacetylpyridine have been synthesized and characterized by microanalysis, LSI-MS, conductivity measurements, IR, UV-Vis spectroscopy and magnetic studies. Crystal structures of L-1 center dot 2H(2)O as well as of the complexes [NiL1](ClO4)(2) and [NiL2](NO3)(2) have been determined. The X-ray studies show the presence of mononuclear endomacrocyclic complexes with the metal ion coordinated to all the nitrogen donor atoms from the macrocyclic framework in a N6 core. The geometry around the metal ions can be described as distorted octahedral. The nitrate and perchlorate anions do not coordinate to the metal ions, but they are involved in intermolecular interactions through hydrogen bonds to the amine groups of the macrocyclic ligands. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.04.042