(pyrazolyl)bis(3-phenylpyrazolyl)methane | 330445-24-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (pyrazolyl)bis(3-phenylpyrazolyl)methane
• 英文别名: bis(3-phenylpyrazolyl)(pyrazolyl)methane；3-Phenyl-1-[(3-phenylpyrazol-1-yl)-pyrazol-1-ylmethyl]pyrazole；3-phenyl-1-[(3-phenylpyrazol-1-yl)-pyrazol-1-ylmethyl]pyrazole
• CAS: 330445-24-4
• 化学式: C₂₂H₁₈N₆
• 分子量: 366.425
• InChiKey: KZEYVIWGVLNKII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 乙腈 、 (pyrazolyl)bis(3-phenylpyrazolyl)methane 以 丙酮 、 乙腈 为溶剂， 生成 bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile disolvate
  参考文献：
  名称：

  Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile disolvate

  摘要：

  The title copper(II) complex, [Cu(C22H18N6)(2)](ClO4)(2)center dot 2C(2)H(3)N, comprises two neutral substituted tris(pyrazol-1-yl) methane ligands bonded to a central Cu II ion, which is positioned on a crystallographic inversion center. Six Cu-N bonds are arranged in a distorted octahedral fashion. The unsubstituted pyrazole rings on each ligand are oriented trans with respect to each other, interdigitated with the two 3-phenylpyrazole rings of the other ligand.

  DOI：

  10.1107/s0108270105041661
• 作为产物：
  描述：

  三(吡唑)甲烷 、 3-苯基吡唑 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 (3-phenylpyrazolyl)bis(pyrazolyl)methane 、 (pyrazolyl)bis(3-phenylpyrazolyl)methane 、 1-[双(3-苯基吡唑-1-基)甲基]-3-苯基吡唑
  参考文献：
  名称：

  Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile disolvate

  摘要：

  The title copper(II) complex, [Cu(C22H18N6)(2)](ClO4)(2)center dot 2C(2)H(3)N, comprises two neutral substituted tris(pyrazol-1-yl) methane ligands bonded to a central Cu II ion, which is positioned on a crystallographic inversion center. Six Cu-N bonds are arranged in a distorted octahedral fashion. The unsubstituted pyrazole rings on each ligand are oriented trans with respect to each other, interdigitated with the two 3-phenylpyrazole rings of the other ligand.

  DOI：

  10.1107/s0108270105041661

文献信息

• Synthesis of tris(pyrazolyl)methanes of unprecedented complexity and functionality
  作者：M.Scott Goodman、Margaret A Bateman

  DOI：10.1016/s0040-4039(00)01867-0

  日期：2001.1

  In this paper we show that simple tris(pyrazolyl)methane (Tpm) ligands can be equilibrated with substituted pyrazoles to form new 'mixed' tris(pyrazolyl)methanes. The product ratio depends on the nature of the starting tris(pyrazolyl)methane, the nature of the substituted pyrazole, and the relative amounts of these two reagents. The method has been used to easily synthesize several new asymmetric and functionalized Tpm ligands. (C) 2000 Elsevier Science Ltd. All rights reserved.