2,2'-bipyridine-6,6'-diyl bis(tert-butyl nitroxide) | 1269814-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,2'-bipyridine-6,6'-diyl bis(tert-butyl nitroxide)
• 英文别名: Tert-butyl-[6-[6-[tert-butyl(oxido)amino]pyridin-2-yl]pyridin-2-yl]-oxoazanium
• CAS: 1269814-61-0
• 化学式: C₁₈H₂₈N₄O₂
• 分子量: 332.446
• InChiKey: XQIIKEFRKGUFIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  72.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  La(hfac)₃*2H₂O 、 2,2'-bipyridine-6,6'-diyl bis(tert-butyl nitroxide) 以 正庚烷 、 二氯甲烷 为溶剂， 以18%的产率得到La((hfac)3(bpybNO)
  参考文献：
  名称：

  Biradical chelating host 2,2′-bipyridine-6,6′-diyl bis(tert-butyl nitroxide) showing tunable exchange magnetic coupling

  摘要：

  The title compound was proposed as a paramagnetic host, and its chelation ability was confirmed by inclusion of a size-matching lanthanum(III) ion. The anti-configuration of the free ligand was changed to the syn configuration in the complex. The antiferromagnetic coupling was enhanced after complexation. In addition to the change of the intramolecular magnetic coupling, a superexchange mechanism is also assumed across the nitroxide-lanthanum(III)-nitroxide structure. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.10.020
• 作为产物：
  描述：

  在 silver(l) oxide 作用下， 以 二氯甲烷 为溶剂， 以98%的产率得到2,2'-bipyridine-6,6'-diyl bis(tert-butyl nitroxide)
  参考文献：
  名称：

  Biradical chelating host 2,2′-bipyridine-6,6′-diyl bis(tert-butyl nitroxide) showing tunable exchange magnetic coupling

  摘要：

  The title compound was proposed as a paramagnetic host, and its chelation ability was confirmed by inclusion of a size-matching lanthanum(III) ion. The anti-configuration of the free ligand was changed to the syn configuration in the complex. The antiferromagnetic coupling was enhanced after complexation. In addition to the change of the intramolecular magnetic coupling, a superexchange mechanism is also assumed across the nitroxide-lanthanum(III)-nitroxide structure. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.10.020