2-(((thiophen-2-yl)methylamino)methyl)-6-(bis((pyridin-2-yl)methyl)amino)-4-methylphenol | 887137-65-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(((thiophen-2-yl)methylamino)methyl)-6-(bis((pyridin-2-yl)methyl)amino)-4-methylphenol
• 英文别名: Hpy2th1as；2-[[Bis(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(thiophen-2-ylmethylamino)methyl]phenol；2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(thiophen-2-ylmethylamino)methyl]phenol
• CAS: 887137-65-7
• 化学式: C₂₆H₂₈N₄OS
• 分子量: 444.601
• InChiKey: OSPPMJVPYCMFKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  89.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(((thiophen-2-yl)methylamino)methyl)-6-(bis((pyridin-2-yl)methyl)amino)-4-methylphenol 、 copper dichloride 以 甲醇 为溶剂， 以49%的产率得到[Cu2(2-(((thiophen-2-yl)methylamino)methyl)-6-(bis((pyridin-2-yl)methyl)amino)-4-methylphenol)2(μ-Cl)2][tetrachlorocuprate]2
  参考文献：
  名称：

  A remarkable anion effect on the crystal packing of two analogous copper complexes from a thiophene-containing phenol-based ligand

  摘要：

  The new asymmetric phenol-based N,O,S-ligand Hpy2th1as was prepared by the straightforward reductive amination of 3-{[bis(pyridin-2-ylmethyl)amino]methyl}-2-hydroxybenzaldehyde with (thiophen-2-yl)methylamine. This potentially hexadentate ligand was used to coordinate to copper(II) chloride. Two dinuclear copper complexes were thus synthesised and fully characterized. Although the two coordination compounds exhibit identical complex cations, the crystal packings of both molecules significantly differ, which is most likely induced by the distinct, but geometrically related anions, namely tetrachlorocuprate(II) and perchlorate. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.04.012

文献信息

• A remarkable anion effect on the crystal packing of two analogous copper complexes from a thiophene-containing phenol-based ligand
  作者：Iryna A. Koval、Maila Sgobba、Mieke Huisman、Matthias Lüken、Eric Saint-Aman、Patrick Gamez、Bernt Krebs、Jan Reedijk

  DOI：10.1016/j.ica.2006.04.012

  日期：2006.9

  The new asymmetric phenol-based N,O,S-ligand Hpy2th1as was prepared by the straightforward reductive amination of 3-[bis(pyridin-2-ylmethyl)amino]methyl}-2-hydroxybenzaldehyde with (thiophen-2-yl)methylamine. This potentially hexadentate ligand was used to coordinate to copper(II) chloride. Two dinuclear copper complexes were thus synthesised and fully characterized. Although the two coordination compounds exhibit identical complex cations, the crystal packings of both molecules significantly differ, which is most likely induced by the distinct, but geometrically related anions, namely tetrachlorocuprate(II) and perchlorate. (c) 2006 Elsevier B.V. All rights reserved.