N,N-bis-[2-hydroxy-3-(morpholino-1-ylmethyl)-5-methylbenzyl]ethylene diimine | 402498-63-9

• 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: N,N-bis-[2-hydroxy-3-(morpholino-1-ylmethyl)-5-methylbenzyl]ethylene diimine
• 英文别名: 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3-propanediylbis(nitrilomethylidene)]diphenol；4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-ethylene dinitrilodimethylidyne)diphenol；2-[2-[[2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]ethyliminomethyl]-4-methyl-6-(morpholin-4-ylmethyl)phenol
• CAS: 402498-63-9
• 化学式: C₂₈H₃₈N₄O₄
• 分子量: 494.634
• InChiKey: JVMMVMCNNPTXNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  manganese(II) perchlorate 、 N,N-bis-[2-hydroxy-3-(morpholino-1-ylmethyl)-5-methylbenzyl]ethylene diimine 在 NaOH 作用下， 以 甲醇 为溶剂， 以60%的产率得到[4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3-propanediylbis(nitrilomethylidene)]diphenolato-O,N,N',O']manganese(II) diperchlorate monohydrate
  参考文献：
  名称：

  {4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3-propanediylbis(nitrilomethylidene)]diphenolato-O,N,N',O'}manganese(II) diperchlorate monohydrate

  摘要：

  In the title compound, [Mn(C28H36N4O4)](ClO4)(2). H2O, the morpholine rings adopt chair conformations. The geometry around the Mn-II ion is slightly distorted square planar. The dihedral angle between the N/Mn/N and O/Mn/O planes is 10.1 (1)degrees. In addition to van der Waals interactions, the molecules are stabilized by N-H ... O and C-H ... O hydrogen bonds.

  DOI：

  10.1107/s0108270199005016

文献信息

• Synthesis of copper(II) and nickel(II) complexes using compartmental ligands: X-ray, electrochemical and magnetic studies
  作者：J Manonmani、Ra Thirumuruhan、M Kandaswamy、V Narayanan、S Shanmuga Sundara Raj、M.N Ponnuswamy、G Shanmugam、H.K Fun

  DOI：10.1016/s0277-5387(01)00901-9

  日期：2001.12

  dicompartmental ligands suitable for the complexation of transition-metal ions which can form mononuclear, homo- or heterodinuclear complexes have been synthesised. The mononuclear complexes ML1 (M=Cu, Ni) where L1=N,N′-bis[2-hydroxy-3-(morpholino-1-ylmethyl)-5-methylbenzyl]alkyldiimine (alkyl=ethylene, L1a; propylene, L1b; butylene, L1c; triethylenetetraamine, L1d); ML2 (M=Cu, Ni) where L2=N,N′-bis[2-hy

  已经合成了适合于过渡金属离子的络合的无环二格配体，其可以形成单核，同核或异核的络合物。单核络合物ML 1（M = Cu，Ni）其中L 1 = N，N'-双[2-羟基-3-（吗啉代-1-基甲基）-5-甲基苄基]烷基二亚胺（烷基=乙烯，L 1a ;丙烯，L 1b；丁烯，L 1c；三亚乙基四胺，L 1d）；ML 2（M = Cu，Ni）其中L 2 = N，N'-双[2-羟基-3-（吗啉代-1-基甲基）-5-甲基苄基]烷基二胺（烷基=乙烯，L 2a ;丙烯，L2b）; ML 3（M = Cu，Ni），其中L 3 = N，N'-双[2-羟基-3-（吗啉代-1-基甲基）-5-溴苄基]烷基二亚胺（烷基=乙烯，L 3a ;丙烯，已经合成了L 3b；丁烯L 3c），并通过C，H，N分析，IR，电子和ESR光谱进行了表征。配合物CuH 2 L 1a（1），CuH 2 L 2a（4），NiH 2 L 1a（9）和NiH
• {4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2-ethanediylbis(nitrilomethylidene-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}copper(II) diperchlorate monohydrate
  作者：S. Shanmuga Sundara Raj、R. Thirumurugan、G. Shanmugam、H.-K. Fun、J. Manonmani、M. Kandaswamy

  DOI：10.1107/s0108270199001298

  日期：1999.6.15