[(η5-C5Me5)IrCl(dppn)](CF3SO3) | 934351-02-7

• 英文名称: [(η5-C5Me5)IrCl(dppn)](CF3SO3)
• 英文别名: [(η₅-C₅Me₅)IrCl(dppn)](CF₃SO₃)；[(η5-pentamethylcyclopentadienyl)IrCl(benzo[i]dipyrido[3,2-a:2',3'-c]phenazine)](CF3SO3)
• CAS: 934351-02-7
• 化学式: CF₃O₃S*C₃₂H₂₇ClIrN₄
• 分子量: 844.337
• InChiKey: BSLAAHVUHGFDCZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 silver trifluoromethanesulfonate 、 丙酮 、 benzo[i]dipyrido[3,2-a:2',3'-c]phenazine 以 甲醇 、 二氯甲烷 为溶剂， 以73%的产率得到[(η5-C5Me5)IrCl(dppn)](CF3SO3)
  参考文献：
  名称：

  Coligand tuning of the DNA binding properties of half-sandwich organometallic intercalators: Influence of polypyridyl (pp) and monodentate ligands (L=Cl, (NH2)2CS, (NMe2)2CS) on the intercalation of (η5-pentamethylcyclopentadienyl)-iridium(III)- dipyridoquinoxaline and -dipyridophenazine complexes

  摘要：

  The DNA binding of polypyridyl (pp) (eta(5)-pentamethylcyclopentadienyl)iridium(III) complexes of the type [(eta(5)-C5Me5)IrCl(pp)] (CF3SO3) (pp = dpq, dppz, dppn) (1-3) and [(eta(5)-C5Me5)Ir(L)(pp)]CF3SO3)(2) (L = (NH2)(2)CS, pp = dpq, dppz, dppn) (4-6), (L = (NMe2)(2)CS, pp = dpq, dppz, dppn) (7-9) has been studied by UV/Vis spectroscopy, circular dichroism and viscosity measurements. Modest increases Delta T-m of 2-7 degrees C in the thermal denaturation temperature (for r = [complex]/[DNA] = 0.1) and the effectively unchanged values or decreases in viscosity observed for CT DNA after incubation with complexes 1-3 for 60 min are in accordance with thermodynamically preferred coordinative Ir-N (nucleobase) binding to the biopolymer. However, kinetically favoured intercalation for 2 and 3 leads to large initial hypochromic UV/Vis shifts for their pi-pi* transitions of their polypyridyl ligands in the range 300-450 nm. As indicated by the large Delta T-m value of 14 degrees C and the marked increase in viscosity for 5/CT DNA mixtures, dppz appears to present an optimum surface area for side-on intercalation for L = (NH2)(2)CS. Whereas lower values for these parameters suggest partial intercalation for the smaller dpq ligand of complex 4, the Delta T-m value of only 2 degrees C and a decrease in DNA viscosity are in accordance with surface binding for the dppn complex 6. In contrast, replacement of L (NH2)(2)CS in 6 by L = (NMe2)(2)CS in 9 leads to very strong intercalative binding of the larger polypyridyl ligand with a binding constant K-b 1.0(6) x 10(7) M-1 following a possible change in the DNA structure from B to A, as suggested by CD spectroscopy. Viscosity studies and Delta T-m values for complexes 7 and 8 are in accordance with, respectively, partial and strong intercalative binding of these complexes into DNA. Circular dichroism measurements suggest that the presence of the bulky (NMe2)(2)CS ligand causes significant distortions of the DNA structure for the larger dppz and dppn ligands. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.10.033