[Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-dppe)(Cl)₂] | 1565761-68-3

• 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: [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-dppe)(Cl)₂]
• 英文别名: [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-1,2-bis(diphenylphosphino)ethane)(Cl)₂]；2-diphenylphosphanylethyl(diphenyl)phosphane;palladium(2+);N-(phenylmethyl)ethanamine;dichloride
• CAS: 1565761-68-3
• 化学式: C₄₄H₄₈Cl₂N₂P₂Pd₂
• 分子量: 950.572
• InChiKey: YCEMZQRGRNKRDH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  52
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-Cl)2] 、 1,2-双(二苯基膦)乙烷 以 二氯甲烷 为溶剂， 反应 2.0h， 以85%的产率得到[Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-dppe)(Cl)₂]
  参考文献：
  名称：

  In vitro cytotoxicity studies of palladacyclic complexes containing the symmetric diphosphine bridging ligand. Studies of their interactions with DNA and BSA

  摘要：

  The reactions between [Pd-2{(C,N)-C6H4CH2NH(Et)}(2)(mu-X)(2)] (X = Cl or Br) and 1,2-bis(diphenylphosphino)ethane (dppe) in the 1:1 molar ratio resulted in the dppe-bridged Pd(II) complexes, [Pd-2{(C,N)-C6H4CH2NH(Et)}(2)(mu-dPPe)(Cl)(2)] (1) and [Pd-2{(C,N)-C6H4CH2NH(Et)}(2)(mu-dPPe)(Br)(2)] (2), respectively, which were characterized by elemental analyses, infrared (IR), H-1- and P-31{H-1} NMR spectroscopy. The molecular structure of I was determined by single-crystal X-ray diffraction. In vitro cytotoxicity of 1, 2, dppe, PhCH2NH(Et) and cisplatin were carried out against four human tumor cell lines. The interactions of complexes towards DNA and protein are investigated. The results suggested that both complexes could interact with FS-DNA through the intercalation mode. Moreover, the reactivity towards BSA revealed that the microenvironment and the secondary structure of BSA were changed in the presence of Pd(II) complexes. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.11.042
• 作为试剂：
  描述：

  1-溴-2-硝基苯 、 苯硼酸 在 [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-dppe)(Cl)₂] 、 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以87%的产率得到2-硝基联苯
  参考文献：
  名称：

  NC Palladacycles 和 C,C-螯合磷叶立德配合物：合成、X 射线表征以及 Suzuki-Miyaura 反应中催化活性的比较

  摘要：

  摘要 六个带有单齿配体 (1a, 2a)、1,2-双(二苯基膦)乙烷 (dppe) 和 1,3-双(二苯基膦)丙烷 (dppp) 的仲胺钯环，含有桥连和双齿配体 (1b, 2b–d )，并合成了四种包含硫脲 (tu) (3a)、异硫氰酸苯酯 (4a) 以及桥连和末端叠氮基团 (5 和 5a) 的 C,C 型磷叶立德配合物。所得配合物已通过元素分析、IR、1H-、13C{1H}-和 31P{1H}-NMR 光谱以及 1a 和 2a 的单晶 X 射线结构测定进行表征。1a 和 2a 中的 Pd 占据由 Cyl、Namine、Npyridine 和 Cl 形成的略微扭曲的方形平面环境的中心。配合物的催化效率表明，在大多数情况下，胺钯环比磷叶立德 Pd(II) 配合物显示出更好的催化活性。双齿和桥接dppe复合物的比较表明，dppe桥接二聚体2d比dppe双齿复合物具有更高的催化活性。

  DOI：

  10.1080/00958972.2016.1151876

文献信息

• In vitro cytotoxicity studies of palladacyclic complexes containing the symmetric diphosphine bridging ligand. Studies of their interactions with DNA and BSA
  作者：Kazem Karami、Mahboubeh Hosseini-Kharat、Hojjat Sadeghi-Aliabadi、Janusz Lipkowski、Mina Mirian

  DOI：10.1016/j.ejmech.2013.11.042

  日期：2014.2

  The reactions between [Pd-2(C,N)-C6H4CH2NH(Et)}(2)(mu-X)(2)] (X = Cl or Br) and 1,2-bis(diphenylphosphino)ethane (dppe) in the 1:1 molar ratio resulted in the dppe-bridged Pd(II) complexes, [Pd-2(C,N)-C6H4CH2NH(Et)}(2)(mu-dPPe)(Cl)(2)] (1) and [Pd-2(C,N)-C6H4CH2NH(Et)}(2)(mu-dPPe)(Br)(2)] (2), respectively, which were characterized by elemental analyses, infrared (IR), H-1- and P-31H-1} NMR spectroscopy. The molecular structure of I was determined by single-crystal X-ray diffraction. In vitro cytotoxicity of 1, 2, dppe, PhCH2NH(Et) and cisplatin were carried out against four human tumor cell lines. The interactions of complexes towards DNA and protein are investigated. The results suggested that both complexes could interact with FS-DNA through the intercalation mode. Moreover, the reactivity towards BSA revealed that the microenvironment and the secondary structure of BSA were changed in the presence of Pd(II) complexes. (C) 2013 Elsevier Masson SAS. All rights reserved.