N,N'-bis(2-hydroxybenzyl)-N-methyl-N'-(2-pyridylmethyl)-1,3-propanediamine | 159089-15-3

• 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: N,N'-bis(2-hydroxybenzyl)-N-methyl-N'-(2-pyridylmethyl)-1,3-propanediamine
• 英文别名: 2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-methylamino]methyl]phenol
• CAS: 159089-15-3
• 化学式: C₂₄H₂₉N₃O₂
• 分子量: 391.513
• InChiKey: BHLYKDXWKUGUBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  59.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  硫酸氧钒水合物 、 N,N'-bis(2-hydroxybenzyl)-N-methyl-N'-(2-pyridylmethyl)-1,3-propanediamine 以 甲醇 为溶剂， 生成 (2,2'-[N-methyl-N'-(2-pyridylmethyl-κN)-1,3-propanediyldinitrilo-κ2N,N'-methylene]diphenolato-κ2O,O')oxovanadium(IV) hemihydrate
  参考文献：
  名称：

  [N,N'-Bis(2-hydroxybenzyl)-N-methyl-N'-(2-pyridylmethyl)-1,3-propanediamine]oxovanadium(IV) hemihydrate, [VO(bbmppn)].0.5H2O

  摘要：

  The novel title complex, {2,2'-[N-methyl-N-(2-pyridyl-methyl-kappaN)-1,3-propanediyldinitrilo-kappa2N,N'-methyl-ene]diphenolato-kappa2O,O'}oxovanadium(IV) hemihydrate, [VO(bbmppn)], [VO(C24H27N3O2)].0.5H2O, has been synthesized and its structure determined. The coordination environment around the VO2+ group is defined by two phenolate 0 and two amine N atoms in the equatorial plane, where atoms of the same type occupy cis positions with respect to one another. The pyridyl N atom of the pentadentate ligand, in a trans position with respect to the terminal oxo group, completes the coordination sphere.

  DOI：

  10.1107/s0108270194002672