tris(2-(2-(1-methyl)imidazolyl)methylaminoethyl)amine | 1233404-16-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tris(2-(2-(1-methyl)imidazolyl)methylaminoethyl)amine
• 英文别名: N-[(1-methylimidazol-2-yl)methyl]-N',N'-bis[2-[(1-methylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
• CAS: 1233404-16-4
• 化学式: C₂₁H₃₆N₁₀
• 分子量: 428.584
• InChiKey: PNCDELOSDJCMPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  31
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  92.8
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 tris(2-(2-(1-methyl)imidazolyl)methylaminoethyl)amine 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以0.294 g的产率得到N-methyl-N-[(1-methylimidazol-2-yl)methyl]-N',N'-bis[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]ethane-1,2-diamine
  参考文献：
  名称：

  Encapsulating ruthenium and osmium with tris(2-aminoethyl)amine based tripodal ligands

  摘要：

  The reaction of a series of tripodal ligands, H3L1.2 and L3-6, with [M(PPh3)(2)Cl-2[(M = Ru, Os) affords a family of coordination cage compounds of the type [(ML1.2)-L-III] (1-4) or [(ML3-6)-L-II](BPh4)(2) (5-12). The Schiff base ligands (H3L1, L-3, L-5) have been synthesized by condensation of tris(2-aminoethyl)amine with salicylaldehyde, pyridine-2-aldehyde and 1-methy1-2-imidazolecarboxaldehyde. These ligands were further reduced and subsequently methylated to form the new ligands (H3L2, L-4, L-6). Single crystal X-ray diffraction studies of 1 and 2 show that the tripodal ligand wraps around the metal center as a hexadentate ligand to form a cage. All the synthesized compounds have been thoroughly characterized by ESI-MS, FT-IR, UV-Vis and NMR spectroscopic methods. To the best of our knowledge, this is the first ever report of osmium complexes with tris(2-aminoethyl)amine based tripodal ligands. DFT calculations were performed to obtain geometry optimized structures of all the other complexes (3-12). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.010
• 作为产物：
  描述：

  2-[(1-methylimidazol-2-yl)methylideneamino]-N,N-bis[2-[(1-methylimidazol-2-yl)methylideneamino]ethyl]ethanamine 在 sodium tetrahydroborate 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成 tris(2-(2-(1-methyl)imidazolyl)methylaminoethyl)amine
  参考文献：
  名称：

  Encapsulating ruthenium and osmium with tris(2-aminoethyl)amine based tripodal ligands

  摘要：

  The reaction of a series of tripodal ligands, H3L1.2 and L3-6, with [M(PPh3)(2)Cl-2[(M = Ru, Os) affords a family of coordination cage compounds of the type [(ML1.2)-L-III] (1-4) or [(ML3-6)-L-II](BPh4)(2) (5-12). The Schiff base ligands (H3L1, L-3, L-5) have been synthesized by condensation of tris(2-aminoethyl)amine with salicylaldehyde, pyridine-2-aldehyde and 1-methy1-2-imidazolecarboxaldehyde. These ligands were further reduced and subsequently methylated to form the new ligands (H3L2, L-4, L-6). Single crystal X-ray diffraction studies of 1 and 2 show that the tripodal ligand wraps around the metal center as a hexadentate ligand to form a cage. All the synthesized compounds have been thoroughly characterized by ESI-MS, FT-IR, UV-Vis and NMR spectroscopic methods. To the best of our knowledge, this is the first ever report of osmium complexes with tris(2-aminoethyl)amine based tripodal ligands. DFT calculations were performed to obtain geometry optimized structures of all the other complexes (3-12). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.010

文献信息

• Syntheses, Crystal Structures, and Properties of Two Novel Trinuclear Copper Complexes Constructed by a Tripodal Heptadentate Ligand Containing Three Imidazolate Groups
  作者：Shi-Fang Tong、Hong Yang、Yan-Ni Lao、Guo-Hua Liu、Hui-Xia Wu、Shi-Ping Yang、Jie Yu、Hong Tan、Wei Li

  DOI：10.1002/zaac.200801420

  日期：2009.11

  CuII complexes, Cu3[(mim)3htren]2}(ClO4)6·2H2O (1) and Cu3[(mim)3htren]2}(PF6)6·2(CH3CN)·2H2O (2) with the tripodal heptadentate ligand (mim)3htren (= tris2-[2-(1-methyl)imidazolyl]methylaminoethyl}amine) were synthesized and characterized. In complex 1 and 2, the tripodal ligand (mim)3htren coordinates in a very unusual configuration to the copper atoms, which resulted in trinuclear complexes. In

  两种 CuII 配合物 Cu3[(mim)3htren]2}(ClO4)6·2H2O (1) 和 Cu3[(mim)3htren]2}(PF6)6·2(CH3CN)·2H2O (2) 与合成并表征了三足七齿配体 (mim)3htren (=tris2-[2-(1-methyl)imidazolyl]methylaminoethyl}amine)。在配合物 1 和 2 中，三足配体 (mim)3htren 以非常不寻常的构型与铜原子配位，从而形成三核配合物。在三核阳离子 Cu3[(mim)3htren]2}6+ 中，位于晶体反转中心的中间原子分别以 1 的细长八面体排列和 2 的方形平面排列配位，并且其他两个 CuII 原子配位在一个扭曲的方形金字塔中。在 2.0–300 K 温度范围内测量的磁数据结果，