2,6-bis-(((2-hydroxyphenyl)(2-pyridylmethyl)amino)methyl)-4-methylphenol | 146862-14-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-bis-(((2-hydroxyphenyl)(2-pyridylmethyl)amino)methyl)-4-methylphenol
• 英文别名: 2,6-bis[[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]methyl]-4-methylphenol
• CAS: 146862-14-8
• 化学式: C₃₃H₃₂N₄O₃
• 分子量: 532.642
• InChiKey: FYXSJFFDDIOSDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  93
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  氟硼酸钠 、 iron(II) chloride tetrahydrate 、 2,6-bis-(((2-hydroxyphenyl)(2-pyridylmethyl)amino)methyl)-4-methylphenol 、 sodium proprionate 以 甲醇 为溶剂， 以32%的产率得到bis(μ-propionato-O,O')(2,6-bis(((2-phenoxy)(2-pyridylmethyl)amino)methyl)-4-methylphenolato)diiron(III) tetrafluoroborate
  参考文献：
  名称：

  Campbell; Parsons; Pennington, Inorganic Chemistry, 1993, vol. 32, # 9, p. 1773 - 1778

  摘要：

  DOI：

文献信息

• (μ-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)bis[diaquanickel(II)] acetate dimethylformamide 0.75-hydrate
  作者：Marcos A. de Brito、Adailton J. Bortoluzzi、Alessandra Greatti、Augusto S. Ceccato、Antônio C. Joussef、Sueli M. Drechsel

  DOI：10.1107/s0108270100009379

  日期：2000.10.15

  The binuclear cation of the title compound, [Ni-2(C33H29N4O3)(H2O)(4)]C2H3O2.C3H7NO .0.75H(2)O, was synthesized as a model for the active site of urease. Two tridentate halves of the symmetrical 2,6-bis[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolate (BPPMP3-) ligand are arranged in a meridional fashion around the two Ni-II ions, with the phenoxo O atom bridging the Ni-II ions. The cation has an approximate twofold rotation axis running through the C-O bond of the bridging phenolate group. Four water molecules complete the octahedral environment of each Ni-II ion.
• Campbell; Parsons; Pennington, Inorganic Chemistry, 1993, vol. 32, # 9, p. 1773 - 1778
  作者：Campbell、Parsons、Pennington

  DOI：——

  日期：——