o-phenylenebis-<6-oxyl-1,4-bis-(2'-pyridylamino)phthalazine> | 152012-98-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: o-phenylenebis-<6-oxyl-1,4-bis-(2'-pyridylamino)phthalazine>
• 英文别名: 1,2-bis-(1,4-bis-(2-pyridylamino)-6-phthalazinyloxy)benzene；6-[2-[[1,4-bis(pyridin-2-ylimino)-2,3-dihydrophthalazin-6-yl]oxy]phenoxy]-1-N,4-N-dipyridin-2-yl-2,3-dihydrophthalazine-1,4-diimine
• CAS: 152012-98-1
• 化学式: C₄₂H₃₀N₁₂O₂
• 分子量: 734.779
• InChiKey: YOHBPEJHVDIJLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  56
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  copper(II) nitrate 、 o-phenylenebis-<6-oxyl-1,4-bis-(2'-pyridylamino)phthalazine> 以 水 为溶剂， 生成
  参考文献：
  名称：

  Structure and magnetic properties of a novel tetranuclear copper(II) complex of an extended bis-phthalazine ligand

  摘要：

  八齿四核化配体邻苯二-[6-氧代-1,4-双-(2′-吡啶氨基)酞嗪](L)将两对分离良好、反铁磁耦合的铜(II)离子结合在一个分子实体中，形成衍生物[Cu4(L)(µ2-OH)2(µ2-NO3)2(NO3)2(H2O)2](NO3)2-4H2O 1。

  DOI：

  10.1039/c39930001375
• 作为产物：
  描述：

  吡啶 、 4,4′-(1,2-phenylenebis(oxy))diphthalonitrile 在 一水合肼 作用下， 生成 o-phenylenebis-<6-oxyl-1,4-bis-(2'-pyridylamino)phthalazine>
  参考文献：
  名称：

  Structure and magnetic properties of a novel tetranuclear copper(II) complex of an extended bis-phthalazine ligand

  摘要：

  八齿四核化配体邻苯二-[6-氧代-1,4-双-(2′-吡啶氨基)酞嗪](L)将两对分离良好、反铁磁耦合的铜(II)离子结合在一个分子实体中，形成衍生物[Cu4(L)(µ2-OH)2(µ2-NO3)2(NO3)2(H2O)2](NO3)2-4H2O 1。

  DOI：

  10.1039/c39930001375

文献信息

• Tetranuclear, Hexanuclear, and Octanuclear Copper(II) Complexes of a Series of Novel Dendritic Poly(phthalazine) Ligands
  作者：Yisheng Zhang、Laurence K. Thompson、John N. Bridson、Monica Bubenik

  DOI：10.1021/ic00127a027

  日期：1995.11

  A series of new branched, dendritic, polynucleating, poly(aminophthalazine) ligands involving two (N-8) (O-P, C-P), three (N-12) (G-P), and four (N-16) (P-P) connected phthalazine groups has been synthesized and their copper coordination chemistry investigated. 6,6'-(1,2-phenylenedioxy)bis[1,4-bis(2'-pyridylamino)phthalazine] (C-P) and 6,6'-oxybis[1,4-bis(2'-pyridylamino)phthalazine] (O-P) bind four copper(II) centers in two well-separated dinuclear copper pairs in one molecular entity in the derivatives [Cu-4(C-P)(mu 2-OH)(2)(mu(2)-NO3)2(H2O)2(NO3)(2)](NO3)2 . 4H(2)O (1) [Cu-4(O-P)(mu(2)-OH>2(mu(2)-NO3)(2)CH2O)(7)](2)(mu(2)-NO3)}(NO3)(7) . 6H(2)O (2). Variable-temperature magnetic studies indicate strong local antiferromagnetic coupling in these hydroxide-bridged compounds, with nonexistent coupling across the ligand framework itself. The crystal and molecular structure for 1 and 2 are reported. 1 crystallizes in the monoclinic system, space group P2(1)/c (No. 14), with a = 13.346(4) Angstrom, b = 37.71(1) Angstrom, c = 21.519(6) Angstrom, beta = 91.04(2)degrees, and Z = 4. The structure was refined to R = 0.063 and R(w) = 0.058 for 5958 unique reflections with I > 2.50 sigma(I). 2 crystallizes in the monoclinic system, space group C2/c, with a = 31.948(5) Angstrom, b = 30.900(8) Angstrom, c = 12.683(6) Angstrom, beta = 96.22(2)degrees, and Z = 8. A poorer structural refinement gave R = 0.121 and R(w) = 0.137 for 5634 unique reflections with I > 2.00 sigma(I). In 1 two chemically identical, but structurally slightly different, tetranuclear species exist per unit cell. Pairs of squase-pyramidal copper centers are bridged equatorially by hydroxides and phthalazine diazine units with Cu-OH-Cu angles in the range 110.4-116.7 degrees, and Cu-Cu separations in the range 3.122-3.188 Angstrom. In 2 pairs of six-coordinate copper centers are bridged equatorially by hydroxides and phthalazine groups with comparable dinuclear center dimensions to 1. Two tetranuclear complexes are linked by a bidentate nitrate bridge to form. an associated octanuclear species. External dimensions for both complexes are very large, bringing them well into the nanometer size range. Other polynuclear complexes involving three and four hydroxide-bridged copper(II) pairs have been synthesized and will be discussed in terms of their structural and magnetic properties.
• Structure and magnetic properties of a novel tetranuclear copper(II) complex of an extended bis-phthalazine ligand
  作者：Yisheng Zhang、Laurence K. Thompson、Monica Bubenik、John N. Bridson

  DOI：10.1039/c39930001375

  日期：——

  The octadentate, tetranucleating ligand o-phenylenebis-[6-oxyl-1,4-bis-(2′-pyridylamino)phthalazine](L) bonds two pairs of well separated, antiferromagnetically coupled copper(II) ions in one molecular entity in the derivative [Cu4(L)(µ2-OH)2(µ2-NO3)2(NO3)2(H2O)2](NO3)2·4H2O 1.

  八齿四核化配体邻苯二-[6-氧代-1,4-双-(2′-吡啶氨基)酞嗪](L)将两对分离良好、反铁磁耦合的铜(II)离子结合在一个分子实体中，形成衍生物[Cu4(L)(µ2-OH)2(µ2-NO3)2(NO3)2(H2O)2](NO3)2-4H2O 1。