[(2,6-(2-Me2NCH2C6H4)2C6H3)PdI] | 960404-31-3

• 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: [(2,6-(2-Me2NCH2C6H4)2C6H3)PdI]
• CAS: 960404-31-3
• 化学式: C₂₄H₂₇IN₂Pd
• 分子量: 576.816
• InChiKey: JFOIVFZOJKXNMP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 [(2,6-(2-Me2NCH2C6H4)2C6H3)PdI] 、 二氧化碳 以 四氢呋喃 、 正己烷 为溶剂， 生成 [(2,6-(2-Me2NCH2C6H4)2C6H3)Pd]3(CO3)I3*2THF
  参考文献：
  名称：

  A new platform for NCN dimethylamino pincer complexes: Synthesis and structural studies

  摘要：

  The reaction of 2,6-(2-{Me2NCH2}C6H4)(2)C6H3I(2) with Pd-2(dba)(3) produced the NCN diamine pincer complex [2,6-(2-Me-2{NCH2}C6H4) 2C6H3PdI] (3) by an oxidative addition route. The structural analysis of ligand precursor 2 revealed a syn-conformation in the solid state. Single crystal X-ray analysis of complex 3 revealed a conventional square planar geometry about the palladium center and a global C-2 symmetric structure. Variable temperature and concentration NMR spectroscopic studies of complex 3 suggest an equilibrium between 3 and the dinuclear species [{2,6-(2-{Me2NCH2}C6H4)(2)C6H3Pd}2 mu(2)-I]I in CDCl3 solution. An unusual carbonate complex [{2,6-(2-{Me2NCH2}C6H4)(2)C6H3Pd}(3)mu(3)-CO3]I-3 (4) was also structurally characterized as a minor product during synthesis of 3. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.08.004
• 作为产物：
  描述：

  2,6-(2-Me2NCH2C6H4)2C6H3I 、 tris(dibenzylideneacetone)dipalladium (0) 以 四氢呋喃 为溶剂， 以73%的产率得到[(2,6-(2-Me2NCH2C6H4)2C6H3)PdI]
  参考文献：
  名称：

  A new platform for NCN dimethylamino pincer complexes: Synthesis and structural studies

  摘要：

  The reaction of 2,6-(2-{Me2NCH2}C6H4)(2)C6H3I(2) with Pd-2(dba)(3) produced the NCN diamine pincer complex [2,6-(2-Me-2{NCH2}C6H4) 2C6H3PdI] (3) by an oxidative addition route. The structural analysis of ligand precursor 2 revealed a syn-conformation in the solid state. Single crystal X-ray analysis of complex 3 revealed a conventional square planar geometry about the palladium center and a global C-2 symmetric structure. Variable temperature and concentration NMR spectroscopic studies of complex 3 suggest an equilibrium between 3 and the dinuclear species [{2,6-(2-{Me2NCH2}C6H4)(2)C6H3Pd}2 mu(2)-I]I in CDCl3 solution. An unusual carbonate complex [{2,6-(2-{Me2NCH2}C6H4)(2)C6H3Pd}(3)mu(3)-CO3]I-3 (4) was also structurally characterized as a minor product during synthesis of 3. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.08.004