N,N'-bis[2-(1-pyrazolyl)ethyl]pyridine-2,6-dicarboxamide | 201937-99-7

• 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: N,N'-bis[2-(1-pyrazolyl)ethyl]pyridine-2,6-dicarboxamide
• 英文别名: 2-N,6-N-bis(2-pyrazol-1-ylethyl)pyridine-2,6-dicarboxamide
• CAS: 201937-99-7
• 化学式: C₁₇H₁₉N₇O₂
• 分子量: 353.384
• InChiKey: HZAJUMWJSWMOOS-UHFFFAOYSA-N

物化性质

• 沸点：
  706.8±60.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 N,N'-bis[2-(1-pyrazolyl)ethyl]pyridine-2,6-dicarboxamide 在 Me₄NOH*5H₂O 作用下， 以 甲醇 为溶剂， 以77%的产率得到(N,N'-bis[2-(1-pyrazolyl)ethyl]pyridine-2,6-dicarboxamido)copper(II)
  参考文献：
  名称：

  Synthesis, structure, and properties of N,N′-bis[2-(1-pyrazolyl)ethyl]-pyridine-2,6-dicar☐amido copper(II)

  摘要：

  The pentadentate dipeptide ligand N,N'-bis[2(1-pyrazolyl)ethyl]pyridine-2,6-dicarboxamide (PyPz(2)PH(2)) (1) (H denotes dissociable amide H) has been synthesized. The Cu(II) complex of this ligand namely, [Cu(PyPz(2)P)] (2), has been isolated and structurally characterized. Complex 2 crystallizes in the triclinic space group P (1) over bar with alpha = 7.743(3), b = 9.427(2), c = 12.809(3) Angstrom, alpha = 71.01 (2), beta = 80.38(2), gamma = 70.54(2)degrees, V = 831.8 (4) Angstrom(3) and Z = 2. The structure was refined to R = 4.13% by using 3313 (I > 2 sigma(I)) data. The dianionic pentadentate ligand coordinates to Cu(II) in a distorted square pyramidal fashion. The Cu center is lifted out of the mean basal plane by 0.32 Angstrom. The spectral parameters of 2 have been compared with those of an analogous complex [Cu(Py3P)] that contains pyridine rings in place of pyrazoles on a similar ligand framework. Such comparison indicates that pyridine nitrogens coordinate to Cu(II) more strongly than 2-pyrazolyl nitrogens. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05816-7

文献信息

• Chavez, Ferman A.; Olmstead, Marilyn M.; Mascharak, Pradip K., Inorganic Chemistry, 1997, vol. 36, # 27, p. 6323 - 6327
  作者：Chavez, Ferman A.、Olmstead, Marilyn M.、Mascharak, Pradip K.

  DOI：——

  日期：——