4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine | 864412-06-6

• 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: 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine
• 英文别名: 4-(N-tert-butyloxylamino)-2-(methoxymethylenyl)pyridine；4NOPy-O-Me
• CAS: 864412-06-6
• 化学式: C₁₁H₁₇N₂O₂
• 分子量: 209.268
• InChiKey: SWINFALWYATMCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  26.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride hexahydrate 、 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine 以 乙醚 、 乙腈 为溶剂， 以78.8%的产率得到[CoCl2(4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine)2]
  参考文献：
  名称：

  Crystal Structures and Magnetic Properties of Complexes of M^IICl₂ (M = Cu, Ni, and Co) Coordinated with 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine:  2D Magnetic Anisotropy of the Aminoxyl-Co^II Complex in the Crystalline State

  摘要：

  Three metal complexes, [(MCl2)-Cl-II(4NOPy-OMe)(2)] (M = Cu (1), Ni (2), and Co (3)), were prepared by mixing the corresponding metal chloride and 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine, 4NOPy-OMe, in 1:2 ratio. Complex 1 has two structures (complexes A and B) with similar coordination geometries, compressed octahedrons. In the crystal structure, complexes A and B locate alternately in short distances (C-radical(...) C-beta = 3.17 and 3.23 angstrom) to form a 1-D chain structure. Complexes 2 and 3 are isomorphous and have a slightly distorted octahedral structure. In the crystal structure, both complexes have intermolecular short contacts ((CradicalCalpha)-C-... = 3.46 and 3.52 A for 2 and 3, respectively) to form the 2-D structures. The temperature dependence of the chi(mol)T values for the three complexes indicated that the magnetic interactions between the radicals and the metal ions within the complexes were ferromagnetic. By fitting a modified Fisher 1-D model to the data of the chi(mol)T vs T plot for 1, we estimated the intra- and intermolecular (intrachain) exchange coupling constants to be J(1)/k(B) = 60.2 and J(2)/k(B) = -7.02 K, respectively. On the other hand, complexes 2 and 3 showed steep increases of the chi(mol)T value below ca. 3 K, indicating that the long-range magnetic ordering is operating. The 1/chi(mol) vs T plot for 2 was analyzed by a Curie-Weiss model to give theta = 6.25 K and C = 2.02 cm(3) K mol(-1) with g(Ni) = 2.25. Complex 3 was investigated in more detail using an orientated sample. Magnetic behavior strongly depends on the direction of the applied field, in which the c* axis perpendicular to the ab plane is an easy axis for magnetization. Direct current (dc) and alternating current (ac) magnetic susceptibility measurements revealed that complex 3 had a magnetic phase transition of T-c = 2.14 K and exhibited a glasslike magnetic behavior below T-c.

  DOI：

  10.1021/ic048441x