R-2-(N-(2-hydroxybutyl)carbaldimino)pyridine | 943219-13-4

• 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: R-2-(N-(2-hydroxybutyl)carbaldimino)pyridine
• CAS: 943219-13-4
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: QLILMPJKPHQIEJ-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.48
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  copper(II) acetate monohydrate 、 R-2-(N-(2-hydroxybutyl)carbaldimino)pyridine 、 sodium azide 以 甲醇 、 水 为溶剂， 以53%的产率得到[(μ-1,1,3-N3)2(Cu2(R-2-(N-(2-hydroxybutyl)carbaldimino)pyridine)2(N3)2]
  参考文献：
  名称：

  One-dimensional azido-bridged chiral copper(II) coordination polymers: Syntheses, structures and magnetic studies

  摘要：

  Two new one-dimensional azido-bridged chiral copper(II) coordination polymers, [(mu-1,1,3-N-3)(2){Cu-2(R-L)(2)(N-3)(2)}](n), (1) (R-L=R-2(N-(2-hydroxybutyl)carbaldimino) pyridine) and [(mu- 1, 1,3-N-3)(2){Cu-2(S-L)(2)(N-3)(2)}](n) (2) (S-L=S-2-(N-(2-hydroxybutyl)carbaldimino)pyridine) have been synthesized and structurally characterized. Complexes 1 and 2 crystallize in the monoclinic chiral space group P2(1). For 1, with a=6.9565(17) angstrom, b=20.675(5) angstrom, c=9.859(2) angstrom, beta=105.944(5)degrees and Z=2. In the case of compound 2, a=6.9650(17) angstrom, b=20.705(5) angstrom, c=9.878(2) angstrom, beta=105.941(4)degrees and Z=2. Both complexes consist of one-dimensional chiral structures in which the copper(II) ions with a distorted octahedral geometry are interlinked by the unusual mu-1,1,3 azido ligands. Circular dichroism spectra demonstrate that 1 and 2 are a pair of enantiomers. Their magnetic properties have been studied. Fitting of the susceptibility data for 1 and 2 using the Bleany-Bowers expression derived from the isotropic spin-exchange Hamiltonian H=-2JS(1)S(2) leads to the parameters g=2.21, J=-2.06 cm(-1), zJ'=-0.0309 cm(-1) and R=4.0x10(-4). (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.01.017