6-chloro-N,,N'-bis-pyridin-2-ylmethyl-N,N'-bis-thiophen-2-ylmethyl-[1,3,5]triazine-2,4-diamine | 1335015-34-3

• 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-N,,N'-bis-pyridin-2-ylmethyl-N,N'-bis-thiophen-2-ylmethyl-[1,3,5]triazine-2,4-diamine
• 英文别名: 6-chloro-2-N,4-N-bis(pyridin-2-ylmethyl)-2-N,4-N-bis(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
• CAS: 1335015-34-3
• 化学式: C₂₅H₂₂ClN₇S₂
• 分子量: 520.082
• InChiKey: XDKMUOFDVYEROO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 6-chloro-N,,N'-bis-pyridin-2-ylmethyl-N,N'-bis-thiophen-2-ylmethyl-[1,3,5]triazine-2,4-diamine 以 甲醇 、 二氯甲烷 为溶剂， 以46%的产率得到(6-chloro-N,,N'-bis-pyridin-2-ylmethyl-N,N'-bis-thiophen-2-ylmethyl-[1,3,5]triazine-2,4-diamine)dichlorocopper(II)
  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
• 作为产物：
  描述：

  2-噻吩甲醛 在 甲醇 、 sodium tetrahydroborate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 48.0h， 生成 6-chloro-N,,N'-bis-pyridin-2-ylmethyl-N,N'-bis-thiophen-2-ylmethyl-[1,3,5]triazine-2,4-diamine
  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

• Four new copper(II) complexes with di-substituted s-triazine-based ligands
  作者：Jinfeng Chu、Wei Chen、Guangxun Su、Yu-Fei Song

  DOI：10.1016/j.ica.2011.06.041

  日期：2011.10

  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.