α,α'-bis[N-(2-pyridylethyl)-N-(pyrazol-1-ylmethyl)amino]-m-xylene | 1109280-32-1

• 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: α,α'-bis[N-(2-pyridylethyl)-N-(pyrazol-1-ylmethyl)amino]-m-xylene
• 英文别名: N-(pyrazol-1-ylmethyl)-N-[[3-[[pyrazol-1-ylmethyl(2-pyridin-2-ylethyl)amino]methyl]phenyl]methyl]-2-pyridin-2-ylethanamine
• CAS: 1109280-32-1
• 化学式: C₃₀H₃₄N₈
• 分子量: 506.654
• InChiKey: QSPQMTMWDVXUKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  sodium perchlorate monohydrate 、 copper(II) choride dihydrate 、 α,α'-bis[N-(2-pyridylethyl)-N-(pyrazol-1-ylmethyl)amino]-m-xylene 以 甲醇 为溶剂， 以56%的产率得到[Cu2(α,α'-bis[N-(2-pyridylethyl)-N-(pyrazol-1-ylmethyl)amino]-m-xylene)Cl2][ClO4]2*CH3CN
  参考文献：
  名称：

  Discrete and 1D coordination polymeric chloro-bridged copper(II) dimers exhibiting ferro- and antiferromagnetic exchange coupling: Magneto-structural correlations and non-covalent interactions

  摘要：

  The synthesis and characterization of two 1D coordination polymers [Cu-2(MHL)Cl-2][ClO4](2) center dot CH3CN center dot THF (2 center dot CH3CN center dot THF) and [Cu-2(MPyPz)Cl-2][ClO4](2) center dot CH3CN (3 center dot CH3CN), having repetitive {Cu-2(II)(mu-Cl)(2) units, of m-xylyl-based ligands with terminal tridentate (2-pyridyl) alkylamine (MHL = alpha, alpha'-bis[N-(2-pyridylethyl)-N-( 2-pyridylmethyl)amino]-m-xylene) and (2-pyridyl)alkylamine/pyrazole (MPyPz = alpha, alpha'-bis[N-(2-pyridylethyl)N-( pyrazol-1-ylmethyl)amino]-m-xylene) coordination have been accomplished. X-ray crystallographic studies reveal that the copper(II) centers in the recently reported dichloro-bridged discrete {Cu-2(II)(mu l-Cl)(2)} complex [{Cu(MeL)Cl}(2)][ClO4](2) (1) of a tridentate (2-pyridyl) alkylamine ligand [MeL = methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine], 2 center dot CH3CN center dot THF, and 3 center dot CH3CN have distorted square-pyramidal geometry, sharing a base-to-apex edge with parallel basal planes. Variable-temperature susceptibility measurements in the range of 2-300 K reveal antiferromagnetic for 1 [J/ (singlet-triplet energy gap) = -3.89 cm (1)] and 2 center dot CH3CN center dot THF (J = -1.84 cm (1)), and ferromagnetic for 3 center dot CH3CN (J = +6.27 cm (1)) coupling. The complexes provide useful information for the magneto-structural correlations. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.02.072

文献信息

• Discrete and 1D coordination polymeric chloro-bridged copper(II) dimers exhibiting ferro- and antiferromagnetic exchange coupling: Magneto-structural correlations and non-covalent interactions
  作者：Sukanta Mandal、Francesc Lloret、Rabindranath Mukherjee

  DOI：10.1016/j.ica.2008.02.072

  日期：2009.1

  The synthesis and characterization of two 1D coordination polymers [Cu-2(MHL)Cl-2][ClO4](2) center dot CH3CN center dot THF (2 center dot CH3CN center dot THF) and [Cu-2(MPyPz)Cl-2][ClO4](2) center dot CH3CN (3 center dot CH3CN), having repetitive Cu-2(II)(mu-Cl)(2) units, of m-xylyl-based ligands with terminal tridentate (2-pyridyl) alkylamine (MHL = alpha, alpha'-bis[N-(2-pyridylethyl)-N-( 2-pyridylmethyl)amino]-m-xylene) and (2-pyridyl)alkylamine/pyrazole (MPyPz = alpha, alpha'-bis[N-(2-pyridylethyl)N-( pyrazol-1-ylmethyl)amino]-m-xylene) coordination have been accomplished. X-ray crystallographic studies reveal that the copper(II) centers in the recently reported dichloro-bridged discrete Cu-2(II)(mu l-Cl)(2)} complex [Cu(MeL)Cl}(2)][ClO4](2) (1) of a tridentate (2-pyridyl) alkylamine ligand [MeL = methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine], 2 center dot CH3CN center dot THF, and 3 center dot CH3CN have distorted square-pyramidal geometry, sharing a base-to-apex edge with parallel basal planes. Variable-temperature susceptibility measurements in the range of 2-300 K reveal antiferromagnetic for 1 [J/ (singlet-triplet energy gap) = -3.89 cm (1)] and 2 center dot CH3CN center dot THF (J = -1.84 cm (1)), and ferromagnetic for 3 center dot CH3CN (J = +6.27 cm (1)) coupling. The complexes provide useful information for the magneto-structural correlations. (c) 2008 Elsevier B.V. All rights reserved.