tetrakisacetonitrile[2-(3-N,N-dimethylaminophenylene)pyridine κC,N]ruthenium hexafluorophosphate | 1217274-09-3

• 英文名称: tetrakisacetonitrile[2-(3-N,N-dimethylaminophenylene)pyridine κC,N]ruthenium hexafluorophosphate
• 英文别名: [Ru(N,N-dimethyl-4-(pyridin-2-yl)benzamine(-H))(acetonitrile)4]PF6
• CAS: 1217274-09-3
• 化学式: C₂₁H₂₅N₆Ru*F₆P
• 分子量: 607.504
• InChiKey: UWVOLZYPOBVBBN-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 tetrakisacetonitrile[2-(3-N,N-dimethylaminophenylene)pyridine κC,N]ruthenium hexafluorophosphate 以 二氯甲烷 为溶剂， 生成 [Ru(II)(1,10-phenanthroline)(N,N-dimethyl-4-(pyridin-2-yl)benzamine(-H))(acetonitrile)2]PF6
  参考文献：
  名称：

  Library of second-generation cycloruthenated compounds and evaluation of their biological properties as potential anticancer drugs: Passing the nanomolar barrier

  摘要：

  我们合成了一个由 32 种有机钌化合物组成的化合物库。已知的和新型的 C-N 环甲基化化合物以及这种金属的 N-C-N 和 N-N-C 钳形衍生物都被用于这一目的。对大多数化合物进行了体外抗肿瘤行为测试，发现它们具有良好甚至卓越的活性。一些新合成的化合物的 IC50 值突破了纳摩尔范围的象征性屏障，这表明它们的活性有了关键性的提高。活性水平与化合物的理化性质（如 RuIII/II 氧化还原电位和亲油性（log P））初步相关。

  DOI：

  10.1039/c1dt10322a
• 作为产物：
  描述：

  六氟磷酸钾 、 [RuCl2(benzene)]2 、 N,N-dimethyl-4-(pyridin-2-yl)aniline 、 乙腈 在 NaOH 作用下， 以 乙腈 为溶剂， 以64%的产率得到tetrakisacetonitrile[2-(3-N,N-dimethylaminophenylene)pyridine κC,N]ruthenium hexafluorophosphate
  参考文献：
  名称：

  One-Pot Generation of a Tris-cationic Homobimetallic Planar-Chiral Ruthenacycle

  摘要：

  The "one-pot" generation of a tris-cationic homobimetallic racemic planar-chiral ruthenacyclic ruthenium sandwich complex from a reaction of the metal-free chelating ligand with the (eta(6)-benzene)dichloridoruthenium(I I) dimer in acetonitrile is reported. This unexpected complex, which was characterized by structural X-ray diffraction analysis, is the product of a multistep process entailing first the cycloruthenation of the ligand, a ligand exchange reaction, and eventually the site-selective pi-bonding of a bis-cationic [(eta(6)-benzene)Ru](2+) moiety to a monocationic ruthenacyclic intermediate. Investigations of the underlying electronic structure and bonding scheme by resorting to quantum chemical methods of the density functional theory have revealed the key role played by the electron-donating NMe2 substituent, which enables the a priori antagonistic a-coordination of the in situ-formed cationic ruthenacycle by a dicationic (eta(6)-arene) ruthenium(II) moiety. Experimental evidence indicates indeed that, in the absence of such an electron-donating group at the metalacycle, the pi-coordination of the [(eta(6)-benzene)Ru](2+) cannot take place.

  DOI：

  10.1021/om901066k