N,N-Bis-(diethylaminoacetyl)dimethylendiamin | 33625-17-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N-Bis-(diethylaminoacetyl)dimethylendiamin
• 英文别名: 1,2-bis-[(N,N-diethyl-glycyl)-amino]-ethane；1,2-Bis-[(N,N-diaethyl-glycyl)-amino]-aethan；N,N'-Ethylenebis(2-(diethylamino)acetamide)；2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]ethyl]acetamide
• CAS: 33625-17-1
• 化学式: C₁₄H₃₀N₄O₂
• 分子量: 286.418
• InChiKey: CPMRDBDVZYCZMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N-Bis-(diethylaminoacetyl)dimethylendiamin 、 水 、 copper dichloride 在 NaH 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and structures of copper(II) complexes with amide-based ligands: Unusual formation of a linear trimer and a zig-zag chain and their contrast magnetic behaviour

  摘要：

  The present work illustrates the versatile coordination modes of the amide-based ligands towards copper(II) ion. The reaction of the deprotonated form of the ligand, [L-1](2-) with CuCl2 affords a linear trinuclear complex, [Cu-3(L-1)(2)(Cl)(2)(H2O)] (1) which has been characterized thoroughly including single crystal structure analysis. The structure of 1 shows that one of the arm of the flexible ligand flips to coordinate second copper(II) centre, resulting in the formation of a trinuclear complex. On the other hand, ligand H2L2 in its deprotonated form reacts with Cu(II) ion to give complex 2 with general formula, [Cu(L-2)](n) (2). The crystal structure of the complex 2 shows that each copper is square-pyramidal with 5th coordination coming from the O-atom of the amide group from a neighbouring complex. This results in the generation of an one-dimensional zig-zag chain. The variable temperature magnetic measurements of the complexes, 1 and 2 show that while Cu ions in the former are antiferromagnetically coupled (J = -110.34 cm(-1)), a weak ferromagnetic interaction (J = +3.08 cm(-1)) exists in the later. A rationale, based on the orbital overlap from the copper ions and associated ligands, is provided for the observed magnetic coupling between the copper ions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.021
• 作为产物：
  描述：

  2-氯-N-[2-[(2-氯乙酰基)氨基]乙基]乙酰胺 、 二乙胺 生成 N,N-Bis-(diethylaminoacetyl)dimethylendiamin
  参考文献：
  名称：

  Some N,N'-Bis-tertiaryaminoacetyl-α,ι-polymethylene Diamines and their Quaternary Ammonium Salts as Curare Substitutes. V

  摘要：

  DOI：

  10.1021/ja01614a012

文献信息

• DE936395
  申请人：——

  公开号：——

  公开（公告）日：——
• Some N,N'-Bis-tertiaryaminoacetyl-α,ι-polymethylene Diamines and their Quaternary Ammonium Salts as Curare Substitutes. V
  作者：Arthur P. Phillips

  DOI：10.1021/ja01614a012

  日期：1955.5
• Svetkin,Yu.V. et al., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, p. 1192 - 1195
  作者：Svetkin,Yu.V. et al.

  DOI：——

  日期：——
• Synthesis, characterization and structures of copper(II) complexes with amide-based ligands: Unusual formation of a linear trimer and a zig-zag chain and their contrast magnetic behaviour
  作者：Jyoti Singh、Geeta Hundal、Montserrat Corbella、Rajeev Gupta

  DOI：10.1016/j.poly.2007.04.021

  日期：2007.8

  The present work illustrates the versatile coordination modes of the amide-based ligands towards copper(II) ion. The reaction of the deprotonated form of the ligand, [L-1](2-) with CuCl2 affords a linear trinuclear complex, [Cu-3(L-1)(2)(Cl)(2)(H2O)] (1) which has been characterized thoroughly including single crystal structure analysis. The structure of 1 shows that one of the arm of the flexible ligand flips to coordinate second copper(II) centre, resulting in the formation of a trinuclear complex. On the other hand, ligand H2L2 in its deprotonated form reacts with Cu(II) ion to give complex 2 with general formula, [Cu(L-2)](n) (2). The crystal structure of the complex 2 shows that each copper is square-pyramidal with 5th coordination coming from the O-atom of the amide group from a neighbouring complex. This results in the generation of an one-dimensional zig-zag chain. The variable temperature magnetic measurements of the complexes, 1 and 2 show that while Cu ions in the former are antiferromagnetically coupled (J = -110.34 cm(-1)), a weak ferromagnetic interaction (J = +3.08 cm(-1)) exists in the later. A rationale, based on the orbital overlap from the copper ions and associated ligands, is provided for the observed magnetic coupling between the copper ions. (c) 2007 Elsevier Ltd. All rights reserved.