1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)methanamine | 1258315-08-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)methanamine
• 英文别名: bis(pyridin-2-ylmethyl)thiophen-3-ylmethylamine；ThDPA；N,N-bis(pyridin-2-ylmethyl)-1-thiophen-3-ylmethanamine
• CAS: 1258315-08-0
• 化学式: C₁₇H₁₇N₃S
• 分子量: 295.408
• InChiKey: OEJOODXFTANFIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)methanamine 、 水 、 copper(II) nitrate 以 甲醇 为溶剂， 生成 [Cu(1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)methanamine)(NO3)2]2*H2O
  参考文献：
  名称：

  Counter-anions and their coordination behavior with Cu(II) complexes of thiophen-3-yl-dipicolylamine

  摘要：

  A new ligand, 1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl) methanamine, ThDPA, was synthesized, as a new example of an N3S donor. Cu(II) complexes of this ligand were isolated. When Cu(NO3)(2) was used as the metal source, a homobinuclear complex with the formula [CuThDPA(NO3)(2)](2)center dot H2O, 1, with two different types of nitro coordination was isolated. 1 crystallizes in the monoclinic P2(1)/n space group with a = 15.193, b = 8.181, c = 32.827 angstrom, beta = 103.3 degrees and V = 3971.9 angstrom(3). In the case of CuSO4 as the source of copper(II), uncommon sulfato-bridged structures were isolated. The homobinuclear complex crystallized in two different lattices, depending on the solvent evaporation rate. Compound 2, with the formula [CuThDPA(SO4)](2)center dot 3H(2)O, crystallizes with 3 water molecules per binuclear structure in the monoclinic space group P2(1)/c with a = 10.143, b = 17.013, c = 11.793 angstrom, beta = 97.18 degrees and V = 2019.1 angstrom(3), and 3, [CuThDPA(SO4)](2)center dot 4H(2)O, crystallizes with 4 water molecules per binuclear structure in the triclinic P (1) over bar space group, with a = 9.2906, b = 10.7297, c = 12.7236 angstrom, alpha = 79.66, beta = 72.18, gamma = 67.1 degrees and V = 1109.7 angstrom(3). (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.08.018

文献信息

• Counter-anions and their coordination behavior with Cu(II) complexes of thiophen-3-yl-dipicolylamine
  作者：Ana de Bettencourt-Dias、Vanessa J. Scott、Steven Hugdal

  DOI：10.1016/j.ica.2010.08.018

  日期：2010.11

  A new ligand, 1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl) methanamine, ThDPA, was synthesized, as a new example of an N3S donor. Cu(II) complexes of this ligand were isolated. When Cu(NO3)(2) was used as the metal source, a homobinuclear complex with the formula [CuThDPA(NO3)(2)](2)center dot H2O, 1, with two different types of nitro coordination was isolated. 1 crystallizes in the monoclinic P2(1)/n space group with a = 15.193, b = 8.181, c = 32.827 angstrom, beta = 103.3 degrees and V = 3971.9 angstrom(3). In the case of CuSO4 as the source of copper(II), uncommon sulfato-bridged structures were isolated. The homobinuclear complex crystallized in two different lattices, depending on the solvent evaporation rate. Compound 2, with the formula [CuThDPA(SO4)](2)center dot 3H(2)O, crystallizes with 3 water molecules per binuclear structure in the monoclinic space group P2(1)/c with a = 10.143, b = 17.013, c = 11.793 angstrom, beta = 97.18 degrees and V = 2019.1 angstrom(3), and 3, [CuThDPA(SO4)](2)center dot 4H(2)O, crystallizes with 4 water molecules per binuclear structure in the triclinic P (1) over bar space group, with a = 9.2906, b = 10.7297, c = 12.7236 angstrom, alpha = 79.66, beta = 72.18, gamma = 67.1 degrees and V = 1109.7 angstrom(3). (C) 2010 Elsevier B.V. All rights reserved.