4,4'-(3,6-dioxa-2,7-diazaocta-1,7-diene-1,8-diyl)bis(2,3-dihydroxybenzaldehyde) O,O-di(2-(((2-hydroxy-3-methoxybenzylidene)amino)oxy)ethyl) dioxime | 844644-82-2

• 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-hydroxy-3-methoxybenzylidene)amino)oxy)ethyl) dioxime
• CAS: 844644-82-2
• 化学式: C₃₈H₄₀N₆O₁₄
• 分子量: 804.767
• InChiKey: VUBJKVFXLNNDNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  58.0
• 可旋转键数：
  23.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  269.38
• 氢给体数：
  6.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  4,4'-(3,6-dioxa-2,7-diazaocta-1,7-diene-1,8-diyl)bis(2,3-dihydroxybenzaldehyde) O,O-di(2-(((2-hydroxy-3-methoxybenzylidene)amino)oxy)ethyl) dioxime 、 zinc diacetate 以 氘代氯仿 、 氘代甲醇 为溶剂， 生成
  参考文献：
  名称：

  Ca²⁺- and Ba²⁺-Selective Receptors Based on Site-Selective Transmetalation of Multinuclear Polyoxime−Zinc(II) Complexes

  摘要：

  Ca2+-selective recognition was achieved by using the site-selective transmetalation of homotrinuclear metallohost [L1Zn3]2+ containing a linear tetraoxime ligand. The selectivity (log(KCa/KMg) > 5.1) is comparable to those of the excellent Ca2+ receptors or sensors such as BAPTA, Quin2, and K23E1. X-ray crystallography revealed that the Ca2+ complex [L1Zn2Ca]2+ has a helical structure. On the other hand, the larger analogue H6L2 gave a mixture of [L2Zn4]2+ isomers, which selectively recognizes Ba2+ to give a single tetranuclear complex, [L2Zn3Ba]2+.

  DOI：

  10.1021/ja046790k

文献信息

• Guest-dependent inversion rate of a tetranuclear single metallohelicate
  作者：Shigehisa Akine、Takanori Taniguchi、Takashi Matsumoto、Tatsuya Nabeshima

  DOI：10.1039/b610641b

  日期：——

  Complexation of linear hexaoxime ligand H6L with Zn2+ and Mn+ (= La3+, Ba2+) afforded a tetranuclear single metallohelicate [LZn3M]n+, whose inversion rate can be modulated by the central metal Mn+.

  线性六肟配体H6L与Zn2+和Mn+（= La3+, Ba2+）的配位反应得到一种四核单金属螺旋配合物[LZn3M]n+，其中央金属Mn+可以调节其翻转速率。
• Dynamic helicity control of single-helical oligooxime metal complexes by coordination of chiral carboxylate ions
  作者：Shiho Sairenji、Shigehisa Akine、Tatsuya Nabeshima

  DOI：10.1016/j.tetlet.2014.02.009

  日期：2014.3

  Helicity of single-helical metal complexes, [(LZn3La)-Zn-1](3+) and [(LZn2La)-Zn-2](3+), was dynamically controlled by coordination of chiral carboxylate ions such as mandelate ion. Spectroscopic investigation indicated that two chiral carboxylate ions contribute to the dynamic helicity control. In addition, the coordination of the carboxylate ions resulted in a nonlinear response in the dynamic helicity control. (c) 2014 Elsevier Ltd. All rights reserved.