3,3'-<1,2-ethanediylbis(oxy-2,1-ethanediyloxy)>bis(2-hydroxybenzaldehyde) bis(O-methyloxime) | 119638-40-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,3'-<1,2-ethanediylbis(oxy-2,1-ethanediyloxy)>bis(2-hydroxybenzaldehyde) bis(O-methyloxime)
• 英文别名: 3,3'-(3,6-dioxaoctane-1,8-diyldioxy)bis(2-hydroxybenzaldehyde) bis(O-methyloxime)
• CAS: 119638-40-3
• 化学式: C₂₂H₂₈N₂O₈
• 分子量: 448.473
• InChiKey: NWJLLWDPIYJTCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  32.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  120.56
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  3,3'-<1,2-ethanediylbis(oxy-2,1-ethanediyloxy)>bis(2-hydroxybenzaldehyde) bis(O-methyloxime) 、 barium trifluoromethanesulfonate 、 nickel(II) acetate tetrahydrate 以 甲醇 、 二氯甲烷 为溶剂， 以61%的产率得到(Ba(H2O)CF3SO3Ni(H2O)(3,3'-(3,6-dioxaoctane-1,8-diyldioxy)bis(2-hydroxybenzaldehyde)bis(O-methyloxime)(-2H)(2-)))2(CF3SO3)2*4H2O
  参考文献：
  名称：

  Magnetic coupling switch by means of host–guest chemistry in a polyether side-arm

  摘要：

  Complexation from the polyether ligand (LH2), Ni(CH3CO2)(2), and Ba(CF3SO3)(2) gave BaNiL (.) 2CF(3)SO(3), which showed ferromagnetic coupling ascribable to the dimer structure determined by means of X-ray crystallographic analysis. After removal of Ba2+ by treatment with guanidinium sulfate, NiL was isolated as an empty host, which did not show ferromagnetic coupling. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2004.09.011