6-chloro-N²,N²,N⁴,N⁴-tetrakis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine | 1092940-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 6-chloro-N²,N²,N⁴,N⁴-tetrakis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
• 英文别名: 6-chloro-N,N,N',N'-tetrakis-pyridin-2-ylmethyl-[1,3,5]triazine-2,4-diamine；2-Chloro-4,6-bis(di-2-picolylamino)-1,3,5-triazine；6-chloro-2-N,2-N,4-N,4-N-tetrakis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
• CAS: 1092940-09-4
• 化学式: C₂₇H₂₄ClN₉
• 分子量: 510.001
• InChiKey: TWBBAPSCOFEFTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  96.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  甲醇 、 copper(II) choride dihydrate 、 6-chloro-N²,N²,N⁴,N⁴-tetrakis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine 以 甲醇 为溶剂， 以32%的产率得到(6-chloro-N,N,N',N'-tetrakis-pyridin-2-ylmethyl-[1,3,5]triazine-2,4-diamine)tetrakischlorodicopper(II)-methanol (1/3)
  参考文献：
  名称：

  Four new copper(II) complexes with di-substituted s-triazine-based ligands

  摘要：

  In this paper, two di-substituted triazine-based ligands, 6-chloro-N,N,N'N'-tetrakis-pyridin-2-ylmethyl-[1,3,5] triazine-2,4-diamine (L1), and 6-chloro-N,N'-bis-pyridin-2-ylmethyl-N,N'-bis-thiophen-2-ylmethyl-[1,3,5] triazine-2,4-diamine (L2), have been prepared. Reaction of CuCl2 center dot 2H(2)O and Cu(NO3)(2)center dot 3H(2)O with L1 and L2 results in the formation of [Cu2Cl4(L1)]center dot 3MeOH (compound 1), [Cu-4(NO3)(8)(L1)(2)]center dot 2.07CH(2)Cl(2)center dot 0.93MeOH (compound 2), [Cu2Cl4(L2)(2)] (compound 3) and [Cu(NO3)(2)(L2)]center dot CH2Cl2 (compound 4), respectively, which have been fully characterized and determined by single-crystal X-ray crystallography, FT-IR, elemental analysis, thermogravimetric measurement and magnetic susceptibility. The dinuclear compound 1 shows strong pi-pi interactions between the neighboring pyridine rings. The nitrate-p (1,3,5-triazine ring) interaction with the distance of 2.755 angstrom in compound 2, is the closest contact reported so far. Compounds 3 and 4 are mononuclear copper(II) compounds, in which none of thiophene rings coordinates with copper(II) ion. In addition, the different orientations of two thiophene rings in compounds 3 and 4 lead to the pi-pi and CH2Cl2-pi (thiophene ring) interactions in compound 4, but not in compound 3. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.06.041

文献信息

• Dopamine polymerization promoted by a catecholase biomimetic Cu^II(μ-OH)Cu^II complex containing a triazine-based ligand
  作者：José A. F. de Oliveira、Marcos P. da Silva、Bernardo de Souza、Tiago P. Camargo、Bruno Szpoganicz、Ademir Neves、Adailton J. Bortoluzzi

  DOI：10.1039/c6dt02032a

  日期：——

  The catecholase-like catalytic activity and dopamine polymerization by using the dinuclear [LCu^II(μ-OH)₂Cu^II](ClO₄)₂ (1) complex are here described.

  这里描述了使用双核[LCu^II(μ-OH)₂Cu^II](ClO₄)₂（1）配合物的儿茶酚酶样催化活性和多巴胺聚合。