ortho-(OH)2C6H3-4-CHPz2 | 1240398-88-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: ortho-(OH)2C6H3-4-CHPz2
• 英文别名: 4-[Di(pyrazol-1-yl)methyl]benzene-1,2-diol；4-[di(pyrazol-1-yl)methyl]benzene-1,2-diol
• CAS: 1240398-88-2
• 化学式: C₁₃H₁₂N₄O₂
• 分子量: 256.264
• InChiKey: VABSDLKJCHTOIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 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：
  76.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 ortho-(OH)2C6H3-4-CHPz2 、 水 以 乙腈 为溶剂， 以87%的产率得到[PdCl2(ortho-(OH)2C6H3-4-CHPz2)]*0.5H2O
  参考文献：
  名称：

  Chemical behavior of ortho-hydroquinone-based bis(pyrazol-1-yl)methane ligands in the presence of palladium(II) chloride

  摘要：

  The synthesis, structural characterization, and coordination behavior of ditopic ortho-hydroquinone-based bis(pyrazol-1-yl)methane ligands (ortho-(OH)(2)C6H3-4-CHpz(2), ortho-(OH)(2)C6H3-4-CH(3-Phpz)(2), and ortho-(OH)(2)C6H3-4-CH(3-tBupz)(2)) with pyrazole, 3-phenylpyrazole, and 3-tert-butylpyrazole as donors are described. The reaction of a soluble PdCl2-source with ortho-(OH)(2)C6H3-4-CHpz(2) in acetonitrile yielded the related square-planar N,N-coordinated Pd(II) dichloride complex, whereas treatment of ortho-(OH)(2)C6H3-4-CH(3-Phpz)(2) or ortho-(OH)(2)C6H3-4-CH(3-tBupz)(2) with PdCl2 in acetonitrile resulted in degradation of these ligands. The Pd(II) complexes trans-(3-PhpzH)(2)PdCl2 and trans-(3-tBupzH)(2)PdCl2 were isolated and fully characterized including X-ray diffraction analyses. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.08.002
• 作为产物：
  描述：

  1,1'-sulfinylbispyrazole 、 3,4-二羟基苯甲醛 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 以2.02 g的产率得到ortho-(OH)2C6H3-4-CHPz2
  参考文献：
  名称：

  Chemical behavior of ortho-hydroquinone-based bis(pyrazol-1-yl)methane ligands in the presence of palladium(II) chloride

  摘要：

  The synthesis, structural characterization, and coordination behavior of ditopic ortho-hydroquinone-based bis(pyrazol-1-yl)methane ligands (ortho-(OH)(2)C6H3-4-CHpz(2), ortho-(OH)(2)C6H3-4-CH(3-Phpz)(2), and ortho-(OH)(2)C6H3-4-CH(3-tBupz)(2)) with pyrazole, 3-phenylpyrazole, and 3-tert-butylpyrazole as donors are described. The reaction of a soluble PdCl2-source with ortho-(OH)(2)C6H3-4-CHpz(2) in acetonitrile yielded the related square-planar N,N-coordinated Pd(II) dichloride complex, whereas treatment of ortho-(OH)(2)C6H3-4-CH(3-Phpz)(2) or ortho-(OH)(2)C6H3-4-CH(3-tBupz)(2) with PdCl2 in acetonitrile resulted in degradation of these ligands. The Pd(II) complexes trans-(3-PhpzH)(2)PdCl2 and trans-(3-tBupzH)(2)PdCl2 were isolated and fully characterized including X-ray diffraction analyses. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.08.002

文献信息

• Chemical behavior of ortho-hydroquinone-based bis(pyrazol-1-yl)methane ligands in the presence of palladium(II) chloride
  作者：Florian Blasberg、Michael Bolte、Matthias Wagner、Hans-Wolfram Lerner

  DOI：10.1016/j.jorganchem.2011.08.002

  日期：2011.11

  The synthesis, structural characterization, and coordination behavior of ditopic ortho-hydroquinone-based bis(pyrazol-1-yl)methane ligands (ortho-(OH)(2)C6H3-4-CHpz(2), ortho-(OH)(2)C6H3-4-CH(3-Phpz)(2), and ortho-(OH)(2)C6H3-4-CH(3-tBupz)(2)) with pyrazole, 3-phenylpyrazole, and 3-tert-butylpyrazole as donors are described. The reaction of a soluble PdCl2-source with ortho-(OH)(2)C6H3-4-CHpz(2) in acetonitrile yielded the related square-planar N,N-coordinated Pd(II) dichloride complex, whereas treatment of ortho-(OH)(2)C6H3-4-CH(3-Phpz)(2) or ortho-(OH)(2)C6H3-4-CH(3-tBupz)(2) with PdCl2 in acetonitrile resulted in degradation of these ligands. The Pd(II) complexes trans-(3-PhpzH)(2)PdCl2 and trans-(3-tBupzH)(2)PdCl2 were isolated and fully characterized including X-ray diffraction analyses. (C) 2011 Elsevier B.V. All rights reserved.