(2-pyridine)bis(imidazolyl)methane | 74199-43-2

• 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-pyridine)bis(imidazolyl)methane
• 英文别名: 2-(di-imidazol-1-yl-methyl)-pyridine；2-[Di(imidazol-1-yl)methyl]pyridine
• CAS: 74199-43-2
• 化学式: C₁₂H₁₁N₅
• 分子量: 225.253
• InChiKey: KDDJFPZJBWUKCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  470.6±35.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-pyridine)bis(imidazolyl)methane 、 碘甲烷 以 甲醇 为溶剂， 以80%的产率得到(2-pyridine)bis(3-methylimidazolium-1-yl)methane diiodide
  参考文献：
  名称：

  A new pyridine-bis-N-heterocyclic carbene ligand and its coordination to Rh: Synthesis and characterization

  摘要：

  The new bis(imidazolylidene) tripodal ligand precursor (2-pyridine)bis(3-methylimidazolium-1-yl)methane diiodide, [H2PYBI-M-ME]I-2, has been obtained by a simple method. The molecular structure of this new ligand precursor has been determined by means of X-ray diffraction. The coordination of this ligand to Rh, provides a Rh(III) complex with very low solubility in most solvents, which we attributed to the polymeric nature of the species. Solution of this polymer in DMSO provided a biscarbene Rh(III) complex in which the pyridine fragment remained unbound. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.04.060
• 作为产物：
  描述：

  吡啶-2-甲醛 、 N,N'-羰基二咪唑 在 cobalt(II) chloride 作用下， 反应 12.0h， 以85%的产率得到(2-pyridine)bis(imidazolyl)methane
  参考文献：
  名称：

  A new pyridine-bis-N-heterocyclic carbene ligand and its coordination to Rh: Synthesis and characterization

  摘要：

  The new bis(imidazolylidene) tripodal ligand precursor (2-pyridine)bis(3-methylimidazolium-1-yl)methane diiodide, [H2PYBI-M-ME]I-2, has been obtained by a simple method. The molecular structure of this new ligand precursor has been determined by means of X-ray diffraction. The coordination of this ligand to Rh, provides a Rh(III) complex with very low solubility in most solvents, which we attributed to the polymeric nature of the species. Solution of this polymer in DMSO provided a biscarbene Rh(III) complex in which the pyridine fragment remained unbound. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.04.060