{copper(II) (acetate)2 (γ-picoline)2} | 82872-29-5

• 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: {copper(II) (acetate)2 (γ-picoline)2}
• 英文别名: Copper;4-methylpyridine;diacetate
• CAS: 82872-29-5；158758-37-3
• 化学式: C₁₆H₂₀CuN₂O₄
• 分子量: 367.892
• InChiKey: YFMJEKRRCJIVOF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.29
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  {copper(II) (acetate)2 (γ-picoline)2} 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  乙酸铜（II）与吡啶和甲基吡啶的单体和二聚体配合物。第一部分合成与表征

  摘要：

  摘要乙酸铜（II）加成化合物与吡啶和甲基吡啶的合成研究除已知的二聚体1：1加合物外，还导致吡啶和γ-甲基吡啶的1：2加合物的分离。这两种新化合物具有磁矩以及单体铜配合物的电子和epr光谱特性。吡啶，β-和γ-甲基吡啶在它们各自的配体中的二聚体1：1加合物的溶液具有与单体相同的光谱和磁性，而二聚体的痕迹仍存在于α-甲基吡啶类似物的溶液中。这是根据配体的空间需求进行讨论的。二聚配合物溶液中乙酸甲酯甲基质子的大nmr各向同性位移表明超交换机理对磁耦合的贡献更大。

  DOI：

  10.1016/s0020-1693(00)89147-1
• 作为产物：
  描述：

  4-甲基吡啶 、 copper diacetate 以 further solvent(s) 为溶剂， 以>99的产率得到{copper(II) (acetate)2 (γ-picoline)2}
  参考文献：
  名称：

  乙酸铜（II）与吡啶和甲基吡啶的单体和二聚体配合物。第一部分合成与表征

  摘要：

  摘要乙酸铜（II）加成化合物与吡啶和甲基吡啶的合成研究除已知的二聚体1：1加合物外，还导致吡啶和γ-甲基吡啶的1：2加合物的分离。这两种新化合物具有磁矩以及单体铜配合物的电子和epr光谱特性。吡啶，β-和γ-甲基吡啶在它们各自的配体中的二聚体1：1加合物的溶液具有与单体相同的光谱和磁性，而二聚体的痕迹仍存在于α-甲基吡啶类似物的溶液中。这是根据配体的空间需求进行讨论的。二聚配合物溶液中乙酸甲酯甲基质子的大nmr各向同性位移表明超交换机理对磁耦合的贡献更大。

  DOI：

  10.1016/s0020-1693(00)89147-1

文献信息

• Monomer and dimer complexes of copper(II) acetate with pyridine and picolines—II. Solution equilibria by spectrophotometric and NMR magnetic measurements
  作者：A.Latif Abuhijleh、I.Y. Ahmed

  DOI：10.1016/s0277-5387(00)86110-0

  日期：1991.1

  Equilibrium constants (K) for the reaction: [Cu(OAc)2.L]2+2L reversible 2[Cu(OAc)2.L2], where OAc is the acetate anion and L = pyridine (py), beta-picoline (beta-pic) or gamma-picoline (gamma-pic), were determined from spectrophotometric and variable-temperature magnetic measurements in chloroform solutions. Good agreement was found between the two methods. The small K values (0.01-0.45) found for the equilibria are consistent with the observed instability of the monomers in chloroform, and increase in the order: py < beta-pic < gamma-pic. The position of the beta-picoline system, for which no crystalline monomer could be isolated, and the anomalous behaviour of alpha-picoline within this series are discussed in terms of crystal-packing requirements arising from the steric properties of these ligands. Thermodynamic parameters for the equilibria were obtained from the temperature dependence of K. The values of DELTA-H(Kelvin) and DELTA-S(Kelvin) are in close agreement with those found for adduct formation of related copper(II) chelates with these ligands, and are discussed in terms of contributions from electronics and structural reorganization, bond formation and solvation effects.
• trans-Bis(acetato-O)bis(4-methylpyridine-N)copper(II)
  作者：M. J. Jedrzejas、R. L. R. Towns、R. J. Baker、S. A. Duraj、A. F. Hepp

  DOI：10.1107/s0108270193013502

  日期：1994.9.15

  The structure of trans-bis(acetato-O)bis(4-methyl-pyridine-N)copper(II), [Cu(C2H3O2)2(C6H7N)2], reported herein, represents a monomeric parent acetate complex with a distorted square-planar arrangement of acetate and 4-methylpyridine ligands around the Cu atom with the following distances and angles: Cu-N = 2.027 (4) and Cu-O1 = 1.950 (3) angstrom; O1-Cu-N = 89.1 (2) and O1-Cu-N' = 90.9 (2)-degrees. The Cu atom resides on a center of inversion. The most important dihedral angles are the angle between the 4-methylpyridine plane and the acetate plane (O1, O2, C21 and C22), 78.2-degrees, and the angle between the 4-methylpyridine ring and the coordination plane (Cu, N, 01), 31.6-degrees.