[(η⁶-p-cymene)Ir(1,2-bis(diphenylphosphino)benzene)Cl]hexafluorophosphate | 209854-76-2

• 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: [(η⁶-p-cymene)Ir(1,2-bis(diphenylphosphino)benzene)Cl]hexafluorophosphate
• 英文别名: [(η⁶-p-cymene)Ir(1,2-bis(diphenylphosphino)benzene)Cl]PF₆；[(η(6)-p-cymene)Ru(o-C6H4(PPh2)2)Cl]PF6；Chlororuthenium(1+);(2-diphenylphosphanylphenyl)-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;hexafluorophosphate
• CAS: 209854-76-2
• 化学式: C₄₀H₃₈ClP₂Ru*F₆P
• 分子量: 862.176
• InChiKey: SJLDMBWLQPOBCR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  12.39
• 重原子数：
  51
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [(η(6)-p-cymene)Ru(MeCN)2Cl]PF6 、 1,2-双(二苯基膦基)苯 以 乙腈 为溶剂， 生成 [(η⁶-p-cymene)Ir(1,2-bis(diphenylphosphino)benzene)Cl]hexafluorophosphate
  参考文献：
  名称：

  Facile preparation of η6-p-cymene ruthenium diphosphine complexes. Crystal structure of [(η6-p-cymene)Ru(dppf)Cl]PF6

  摘要：

  The clean, high yield synthesis of the complexes [(eta(6)-p-cymene)Ru(P-P)Cl]PF6 (P-P=diphosphine ligand) from [(eta(6)-p-cymene)RuCl2](2) via [(eta(6)-p-cymene)Ru(NCMe)(2)Cl]PF6 is reported for a series of 'normal' diphosphine ligands. The X-ray crystal structure of the 1,1'-bis(diphenylphosphino)ferrocene complex reveals the expected pianostool geometry, with the ligand cyclopentadienyl rings in the less usual eclipsed conformation. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(97)00776-6

文献信息

• Organometallic ruthenium and iridium phosphorus complexes: Synthesis, cellular imaging, organelle targeting and anticancer applications
  作者：JuanJuan Li、Zhenzhen Tian、Shumiao Zhang、Zhishan Xu、Xudong Mao、Yumin Zhou、Zhe Liu

  DOI：10.1002/aoc.4685

  日期：2019.4

  anticancer drug cisplatin towards A549 lung cancer cells. Complex Ir1, which has a simpler structure and highly potent antiproliferative activity, was selected to investigate in further mechanistic studies. No hydrolysis and nucleobase binding occurred for complex Ir1. In order to elucidate subcellular localization, the self‐luminescence of the complex Ir1 was utilized. Ir1 can specifically target lysosomes

  含磷配体的金属配合物作为抗癌剂的用途尚未得到很好的研究。在这项工作中，已经合成并充分表征了八种具有P ^ P螯合配体的新颖的半三明治Ir III和Ru II化合物，并报道了两种晶体结构。所有这八种复合物均显示出高度有效的抗增殖活性，对A549肺癌细胞的效力是临床抗癌药顺铂的九倍。具有更简单的结构和高度有效的抗增殖活性的复合物Ir1被选择用于进一步的机理研究。没有水解和核碱基结合发生复杂的Ir1。为了阐明亚细胞定位，利用了复合物Ir1的自发光。Ir1可以特异性地靶向溶酶体，并促进活性氧的过量产生，从而导致A549细胞中的溶酶体膜通透性增加。组织蛋白酶B的释放和线粒体膜电位的变化也有助于观察到的Ir1的细胞毒性，这表明其抗癌作用机制不同于顺铂。生物和化学研究的良好结果表明，这些类型的复合物具有巨大的治疗诊断潜力。
• Facile preparation of η6-p-cymene ruthenium diphosphine complexes. Crystal structure of [(η6-p-cymene)Ru(dppf)Cl]PF6
  作者：Svend B Jensen、Susan J Rodger、Mark D Spicer

  DOI：10.1016/s0022-328x(97)00776-6

  日期：1998.4

  The clean, high yield synthesis of the complexes [(eta(6)-p-cymene)Ru(P-P)Cl]PF6 (P-P=diphosphine ligand) from [(eta(6)-p-cymene)RuCl2](2) via [(eta(6)-p-cymene)Ru(NCMe)(2)Cl]PF6 is reported for a series of 'normal' diphosphine ligands. The X-ray crystal structure of the 1,1'-bis(diphenylphosphino)ferrocene complex reveals the expected pianostool geometry, with the ligand cyclopentadienyl rings in the less usual eclipsed conformation. (C) 1998 Elsevier Science S.A. All rights reserved.