[Zn((S)-N,N-bis[(6-phenyl-2-pyridyl)methyl]-1-(2-pyridyl)ethanamine)Cl]ClO4 | 217321-30-7

• 英文名称: [Zn((S)-N,N-bis[(6-phenyl-2-pyridyl)methyl]-1-(2-pyridyl)ethanamine)Cl]ClO4
• 英文别名: [Zn(N,N-bis[(6-phenyl-2-pyridyl)methyl]-1-(2-pyridyl)ethanamine)Cl]ClO4
• CAS: 217321-30-7
• 化学式: C₃₁H₂₈ClN₄Zn*ClO₄
• 分子量: 656.884
• InChiKey: LMNPMYHVZSXIEG-VRMKZKMYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  zinc perchlorate 、 N,N-bis[(6-phenyl-2-pyridyl)methyl]-1-(2-pyridyl)ethanamine 、 sodium chloride 以 水 、 乙腈 为溶剂， 以78.7%的产率得到[Zn((S)-N,N-bis[(6-phenyl-2-pyridyl)methyl]-1-(2-pyridyl)ethanamine)Cl]ClO4
  参考文献：
  名称：

  Solid State and Solution Characterization of Chiral, Conformationally Mobile Tripodal Ligands

  摘要：

  The synthesis of the ligands N,N-bis[(2-pyridyl)methyl]-1-(2-pyridyl)ethanamine (1, alpha-MeTPA), N,N-bisl[6-phenyl-2-pyridyl)methyl]-1-(2-pyridyl)ethanamine (2, alpha-MePh(2)TPA), N,N-bis[(2-quinolyl)methyl]-1-(2-pyridyl)ethanamine, (3, alpha-MeBQPA), and N,N-bis[(2-pyridyl)]methyl(phenyl)(2-pyridyl)methanamine (4, alpha-PhTPA) is described. The ligands form chiral, pseudo C-3-symmetric complexes with Zn-II and Cu-II salts that possess an available electrophilic coordination site. X-ray crystallographic structures of the complexes [Zn(alpha-MeTPA)Cl] (ClO4), [Zn(alpha-MeBQPA)Cl](ClO4), and [Zn(alpha-PhTPA)Cl](ClO4) show that the spatial arrangement of the three pyridyl groups resembles a propeller whose directional sense is controlled by a substituent on one methylene arm. Chiroptical measurements provide supporting information that the complexes maintain similar structures in solution. Monte Carlo/stochastic dynamics (MC/SD) simulations of the [Zn(L)Cl](+) complexes indicate that only two conformers are populated at normal temperatures, suggest the presence of a synchronicity in the movement of the heteroaromatic rings during conformer interconversions, and provide an estimate of the energy difference between the conformers.

  DOI：

  10.1021/ic9803098