2-([(2-methoxyethyl)(pyridin-2-ylmethyl)amino]methyl)phenol | 742060-17-9

• 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-([(2-methoxyethyl)(pyridin-2-ylmethyl)amino]methyl)phenol
• 英文别名: Hmepap；2-[[2-Methoxyethyl(pyridin-2-ylmethyl)amino]methyl]phenol
• CAS: 742060-17-9
• 化学式: C₁₆H₂₀N₂O₂
• 分子量: 272.347
• InChiKey: RKKQWCXWJQMYEF-UHFFFAOYSA-N

物化性质

• 沸点：
  392.9±32.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  manganese(II) bromide tetrahydrate 、 2-([(2-methoxyethyl)(pyridin-2-ylmethyl)amino]methyl)phenol 以 甲醇 为溶剂， 以68%的产率得到[MnBr2(methanol)(2-([(2-methoxyethyl)(pyridin-2-ylmethyl)amino]methyl)phenol)]
  参考文献：
  名称：

  Manganese(II) complexes of a set of 2-aminomethylpyridine-derived ligands bearing a methoxyalkyl arm: syntheses, structures and magnetism

  摘要：

  Four new ligands, N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)amine (mepma), N-(3-methoxypropyl)-N,N-bis(pyridin-2-ylmethyl)amine (mpbpa), N-(2-methoxyethyl)-N,N-bis(pyridin-2-ylmethyl)amine (mebpa) and 2-{[(2-methoxyethyl)(pyridin-2-ylmethyl)amino]methyl} phenol (Hmepap), and four of their complexes with manganese(II) halides, [MnCl2(mepma)(2)] (1), [MnCl(g-Cl)(mpbpa)](2) (2), [MnBr2(mebpa)] (3) and [MnBr2(MeOH)(Hmepap)] (4) have been synthesized and characterized. Single-crystal Xray studies revealed that in all four complexes, the Mn(II) coordination spheres are distorted octahedral. In 1 and 2, the ether oxygen atom does not coordinate to the Mn(II) centre, but in 3 and 4 it does. The mononuclear molecules of I are linked by double hydrogen bonds to form linear chains. Temperature dependent magnetic susceptibility measurements revealed that the Mn(II) ions in 1 interact antiferromagnetically, with J = -1.06 cm(-1). Compound 2 crystallizes as a double chloride-bridged dimer in which there is a weak ferromagnetic interaction (J = 0.55 cm(-1)) between the Mn(II) pair. The solution EPR spectrum of 2 suggests that in methanol compound 2 decomposes to a great extent to mononuclear species. In compound 3, mebpa acts as a tetradentate ligand with all of its nitrogen and oxygen atoms coordinated to the Mn(II) ion. Unexpectedly, in complex 4, the phenolic oxygen of Hmepap remains protonated and does not coordinate to the metal ion. Instead the oxygen from a methanol molecule coordinates the manganese centre. Hydrogen bonds between one of the two bromide ions, and the methanol and phenol hydroxyl groups, respectively, connect the mononuclear molecules of 4 into chains. No magnetic interactions were observed between the Mn(II) ions in 3 or 4. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.02.001