2,8-dimethyl-5,11-di(dimethylethyleneamine)-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-h]-imidazo[4,5-c][1,6]-diazecine | 240497-16-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2,8-dimethyl-5,11-di(dimethylethyleneamine)-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-h]-imidazo[4,5-c][1,6]-diazecine
• 英文别名: dimea；2-[11-[2-(dimethylamino)ethyl]-7,15-dimethyl-3,6,8,11,14,16-hexazatricyclo[11.3.0.05,9]hexadeca-1(13),5(9),7,14-tetraen-3-yl]-N,N-dimethylethanamine
• CAS: 240497-16-9
• 化学式: C₂₀H₃₆N₈
• 分子量: 388.559
• InChiKey: GFBSEDZFOKMHOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  70.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 2,8-dimethyl-5,11-di(dimethylethyleneamine)-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-h]-imidazo[4,5-c][1,6]-diazecine 以 甲醇 为溶剂， 以71%的产率得到Cu2(bis[[c,h](2-methyimidazolyl)]-1,6-diazecine-1,6-bis(N,N-dimethylamino-eth-2-yl))(ClO4)2(H2O)2(ClO4)2*2H2O
  参考文献：
  名称：

  Structural characterization of copper(II) complexes based on a new 10-membered binucleating 1,6-diazecine ligand

  摘要：

  The three dicopper(II) complexes [Cu-2(L-endm)(ClO4)(2)(H2O)(2)](ClO4)(2)center dot 2H(2)O (1), [Cu2(L-endm)(N-3)(2)(H2O)(2)]-(ClO4)(2) (2), and [Cu-2(L-endm)(C4O4)(2)(H2O)(2)]center dot 6H(2)O (3) (C4O42- = 3,4-dihydroxycyclobut-3-en-1,2-dionate) were synthesized from the novel binucleating ligand 1,6-diazecine, L-endm namely bis([c,h](2-methylimidazolyl)]-1,6-diazecine-1,6-bis(N,N-dimethylamino-eth-2-yl). The perchlorato, 1 and the squarato complex 3 were structurally characterized by X-ray crystallography. The spectral and structural characterization, and electrochemical proper-ties as well as thermogravimetric analyses of the complexes are reported. The Cu(II) centers in 1 and 3 displayed a distorted square pyramidal environment with the CuN3O2 chromophore. In which the basal sites are occupied by the three nitrogen donors of L-endm: N(1) of the N,N-dimethylamino-eth-2-yl side chain, N(2) of the 10-membered central 1,6-diazecine ring and N(3) of the non-protonated N atom of the imidazolyl, an O(1) of the aqua ligand in 1 or O(1) of the terminal squarato ligand in 3, and an aqua ligand Occupying the apical position. In both cases the L-endm behaves as bis-tridentate bridging ligand with the intradinuclear Cu...Cu distances are in the range 7.38-7.51 angstrom. The UV-Vis and IR spectroscopy, elemental and the thermal analyses of the complexes are in complete agreement with the assigned structural formulas. The cyclic voltametric properties of the two complexes 1 and 2 were also studied. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.05.059

文献信息

• Copper(II) compounds of some rigid dinucleating bis-amine–bis-imidazole ligands
  作者：Willem L. Driessen、Daniëlle Rehorst、Jan Reedijk、Ilpo Mutikainen、Urho Turpeinen

  DOI：10.1016/j.ica.2004.03.062

  日期：2005.4

  The Mannich condensation of formaldehyde with some amines and imidazoles rendered three bis-(amine-imidazole) ligands in a simple one pot reaction. Although these ligands are formally dinucleating, the copper(II) ions are held far apart, as shown by the Xray structures of five copper(II) compounds obtained with these ligands. Consequentially, these copper(II) compounds behave magnetically mononuclear. (c) 2005 Elsevier B.V. All rights reserved.