[2-(Et2NCH2)C6H4Se]2Cd | 1256614-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-(Et2NCH2)C6H4Se]2Cd
• 英文别名: Cadmium(2+);2-(diethylaminomethyl)benzeneselenolate；cadmium(2+);2-(diethylaminomethyl)benzeneselenolate
• CAS: 1256614-38-6
• 化学式: C₂₂H₃₂CdN₂Se₂
• 分子量: 594.839
• InChiKey: WDVHLQGNHBAGED-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [2-(Et2NCH2)C6H4]SeLi 、 cadmium(II) chloride 以 四氢呋喃 为溶剂， 以68.3%的产率得到[2-(Et2NCH2)C6H4Se]2Cd
  参考文献：
  名称：

  Group 12 metal aryl selenolates. Crystal and molecular structure of [2-(Et2NCH2)C6H4]2Se2 and [2-(Me2NCH2)C6H4Se]2M (M=Zn, Cd)

  摘要：

  Diorganodiselenide [2-(Et2NCH2)C6H4](2)Se-2 (1) was obtained by hydrolysis/oxidation of the corresponding [2-(Et2NCH2)C6H4]SeLi derivative. The treatment of [2-(Et2NCH2)C6H4](2)Se-2 with elemental sodium in THF resulted in [2-(Et2NCH2)C6H4]SeNa (2). Reactions between alkali metal selenolates [2(R2NCH2)C6H4]SeM' (R = Me, Et; M' = Li, Na) and MCl2 (M = Zn, Cd) in a 2:1 molar ratio resulted in the [2-(R2NCH2)C6H4Se](2)M species [R = Me, M = Zn (3), Cd (4); R = Et, M = Zn (5), Cd (6)]. The new compounds were characterized by multinuclear NMR (H-1, C-13, Se-77, Cd-113) and mass spectrometry. The crystal and molecular structures of 1, 3 and 4 revealed monomeric species stabilized by N -> Se (for 1) and N -> M (for 3 and 4) intramolecular interactions. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.07.036

文献信息

• Group 12 metal aryl selenolates. Crystal and molecular structure of [2-(Et2NCH2)C6H4]2Se2 and [2-(Me2NCH2)C6H4Se]2M (M=Zn, Cd)
  作者：Alpar Pöllnitz、Adina Rotar、Anca Silvestru、Cristian Silvestru、Monika Kulcsar

  DOI：10.1016/j.jorganchem.2010.07.036

  日期：2010.11

  Diorganodiselenide [2-(Et2NCH2)C6H4](2)Se-2 (1) was obtained by hydrolysis/oxidation of the corresponding [2-(Et2NCH2)C6H4]SeLi derivative. The treatment of [2-(Et2NCH2)C6H4](2)Se-2 with elemental sodium in THF resulted in [2-(Et2NCH2)C6H4]SeNa (2). Reactions between alkali metal selenolates [2(R2NCH2)C6H4]SeM' (R = Me, Et; M' = Li, Na) and MCl2 (M = Zn, Cd) in a 2:1 molar ratio resulted in the [2-(R2NCH2)C6H4Se](2)M species [R = Me, M = Zn (3), Cd (4); R = Et, M = Zn (5), Cd (6)]. The new compounds were characterized by multinuclear NMR (H-1, C-13, Se-77, Cd-113) and mass spectrometry. The crystal and molecular structures of 1, 3 and 4 revealed monomeric species stabilized by N -> Se (for 1) and N -> M (for 3 and 4) intramolecular interactions. (C) 2010 Elsevier B. V. All rights reserved.