4,4'-(3,6-dioxa-2,7-diazaocta-1,7-diene-1,8-diyl)bis(2,3-dihydroxybenzaldehyde) O,O-di(2-(((2,3-dihydroxy-4-(8-(2-hydroxy-3-methoxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)benzylidene)amino)oxy)ethyl) dioxime | 1290040-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4,4'-(3,6-dioxa-2,7-diazaocta-1,7-diene-1,8-diyl)bis(2,3-dihydroxybenzaldehyde) O,O-di(2-(((2,3-dihydroxy-4-(8-(2-hydroxy-3-methoxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)benzylidene)amino)oxy)ethyl) dioxime
• CAS: 1290040-25-3
• 化学式: C₅₈H₆₀N₁₀O₂₂
• 分子量: 1249.17
• InChiKey: CFXPTEROWLXQCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.77
• 重原子数：
  90.0
• 可旋转键数：
  37.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  436.66
• 氢给体数：
  10.0
• 氢受体数：
  32.0

反应信息

• 作为产物：
  描述：

  2,3-二羟基对苯二甲醛 以 乙醇 、 氯仿 为溶剂， 反应 4.0h， 生成 4,4'-(3,6-dioxa-2,7-diazaocta-1,7-diene-1,8-diyl)bis(2,3-dihydroxybenzaldehyde) O,O-di(2-(((2,3-dihydroxy-4-(8-(2-hydroxy-3-methoxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)benzylidene)amino)oxy)ethyl) dioxime
  参考文献：
  名称：

  Synthesis of acyclic tetrakis- and pentakis(N₂O₂) ligands for single-helical heterometallic complexes with a greater number of winding turns

  摘要：

  Acyclic oligooxime ligands (H8L4 and H10L5) that have four or five N2O2 coordinating moieties (salamo moieties) were synthesised in order to obtain single-helical metal complexes with a greater number of winding turns. When the complexation of the tetrakis (salamo) ligand H8L4 with zinc(II) took place, a complicated mixture of zinc(II) complexes was formed. However, the mixture was converted to a discrete pentanuclear complex in the presence of a guest ion with a suitable size (La3+, Ba2+), which was evidenced by the well-resolved sharp 1H NMR spectra and the mass spectra. Other ions with a smaller size (Lu3+, Ca2+) did not lead to such a discrete species. The 1H NMR spectral feature of the pentanuclear complex [L4Zn4La(OAc)3] is consistent with the single-helical structure in which the nth benzene ring approximately lies on the (n+3)th benzene ring.

  DOI：

  10.1080/10610278.2010.514906