chlorocopper(1+);2-(dimethylamino)-2-methylpropan-1-olate | 500128-70-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: chlorocopper(1+);2-(dimethylamino)-2-methylpropan-1-olate
• CAS: 500128-70-1
• 化学式: C₁₂H₂₈Cl₂Cu₂N₂O₂
• 分子量: 430.365
• InChiKey: FNSRBFMNKFXLJE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.75
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-二甲氨基-2-甲基-1-丙醇 、 copper dichloride 以 甲醇 为溶剂， 以90%的产率得到chlorocopper(1+);2-(dimethylamino)-2-methylpropan-1-olate
  参考文献：
  名称：

  Structure, magnetic properties and catecholase activity study of oxo-bridged dinuclear copper(II) complexes

  摘要：

  Six alkoxy-bridged dinuclear copper(II) complexes with catecholase-like sites, [Cu(L-1)(NCS)], (1), [Cu(L-2)(CH3CO2)](2).2H(2)O (2), [Cu(L-3)(NCO)](2) (3), [Cu(L-4)(NCS)](2) (4), [Cu(L-5)(NCS)](2) (5), and [Cu(L-4)(Cl)](2) (6), where HL1 = 2-(hydroxymethyl)-pyridine, HL2 = 6-methyl-2-pyridine-methanol, HL3 = 2-(2-hydroxyethyl)-pyridine, HL4 = 1-dimethylamino-2-methyl-1-propanol, and HL5 = 1-dimethylamino-2-propanol, respectively), have been prepared and characterized. The single crystal X-ray analysis show that the structures of complexes 1-6 are dimeric with two adjacent copper(II) atoms bridged by pairs of mu-oxy atoms from the alkoxyl group of the ligands. Magnetic susceptibility measurements in the temperature range 2-300 K for complexes 1-6 indicate significant antiferromagnetic coupling between the copper(II) atoms. The kinetic studies on catecholase activity of complexes for the oxidation of 3,5-di-tert-butylcatechol by O-2 was studied and it found that the complexes with the bond distance of Cu(II)...Cu(II) located near 2.98 to similar to 2.99 Angstrom show high catecholase activity. The reaction rate constant for the catecholase activity was obtained by Michaelis-Menten model. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01059-9