PdI(C6H2(CH2NMe2)2-2,6-(t-BuMe2SiO)-4 | 446054-53-1

• 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: PdI(C6H2(CH2NMe2)2-2,6-(t-BuMe2SiO)-4
• 英文别名: 1-[3-[tert-butyl(dimethyl)silyl]oxy-5-[(dimethylamino)methyl]benzene-6-id-1-yl]-N,N-dimethylmethanamine;iodopalladium(1+)
• CAS: 446054-53-1
• 化学式: C₁₈H₃₃IN₂OPdSi
• 分子量: 554.883
• InChiKey: PQPDXBIQTWNNQX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.88
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  PdI(C6H2(CH2NMe2)2-2,6-(t-BuMe2SiO)-4 在 tetrabutylammonium fluoride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 [PdI(C6H2(CH2NMe2)2-2,6-(OH)-4)]
  参考文献：
  名称：

  Self-assembly of para-OH functionalized ECE-metalated pincer complexes

  摘要：

  Various para-OH functionalized ECE-pincer metal complexes [MX(ECE-OH)L-n] (ECE-OH = [C6H2(CH2E)(2)-2,6- OH-4] , E = NMe2, PPh2 and SPh) were synthesized. The X-ray crystal structures of neutral [PdCl(SCS-OH)], [PdCl(NCN-OH)], and cationic [Pd(PCP-OH)(MeCN)](BF4) are reported. The neutral halide complexes exhibit self-assembly to form polymeric chains via H-bonding involving the para-OH group as donors and the halide ligand on the metal as acceptors. Moreover, the halide ligand can be replaced by a monomeric aryloxy-O ligand leading to the formation of a covalently bonded dimer. The crystal structure of such a dimer derived from [PdI(NCN-OH)] is reported. Furthermore, these pincer-metal complexes were tethered through a carbamate linker to a siloxane functionality with the aim to be immobilized on a silica support. The crystal structure of a siloxane-functionalized [PtI(NCN-Z)] complex exemplifies how other H-bonding interactions not involving the metal-halide groupings can lead to polymeric networks as well. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.06.016

文献信息

• Self-assembly of para-OH functionalized ECE-metalated pincer complexes
  作者：Nilesh C. Mehendale、Martin Lutz、Anthony L. Spek、Robertus J.M. Klein Gebbink、Gerard van Koten

  DOI：10.1016/j.jorganchem.2008.06.016

  日期：2008.9

  Various para-OH functionalized ECE-pincer metal complexes [MX(ECE-OH)L-n] (ECE-OH = [C6H2(CH2E)(2)-2,6- OH-4] , E = NMe2, PPh2 and SPh) were synthesized. The X-ray crystal structures of neutral [PdCl(SCS-OH)], [PdCl(NCN-OH)], and cationic [Pd(PCP-OH)(MeCN)](BF4) are reported. The neutral halide complexes exhibit self-assembly to form polymeric chains via H-bonding involving the para-OH group as donors and the halide ligand on the metal as acceptors. Moreover, the halide ligand can be replaced by a monomeric aryloxy-O ligand leading to the formation of a covalently bonded dimer. The crystal structure of such a dimer derived from [PdI(NCN-OH)] is reported. Furthermore, these pincer-metal complexes were tethered through a carbamate linker to a siloxane functionality with the aim to be immobilized on a silica support. The crystal structure of a siloxane-functionalized [PtI(NCN-Z)] complex exemplifies how other H-bonding interactions not involving the metal-halide groupings can lead to polymeric networks as well. (C) 2008 Elsevier B. V. All rights reserved.