trans-[RuCl(H2O)(1-(3-propylammonium)-1,4,8,11-tetraazacyclotetradecane)](2+) | 660837-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: trans-[RuCl(H2O)(1-(3-propylammonium)-1,4,8,11-tetraazacyclotetradecane)](2+)
• CAS: 660837-35-4
• 化学式: C₁₃H₃₄ClN₅ORu
• 分子量: 412.969
• InChiKey: NILOAGGTZWQQPM-UHFFFAOYSA-N

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：

  trans-[RuCl2(1-(3-propylammonium)-1,4,8,11-tetraazacyclotetradecane)](1+) 、 水 在 CF₃SO₃H 、 CF₃SO₃Na 作用下， 以 水 为溶剂， 生成 trans-[RuCl(H2O)(1-(3-propylammonium)-1,4,8,11-tetraazacyclotetradecane)](2+)
  参考文献：
  名称：

  Aquation reactions of RuII and RuIII dichloro complexes with 1-(3-propylammonium)cyclam

  摘要：

  The syntheses and characterization of trans-[(RuClL)-Cl-III(1-(3-propylammonium)cyclam)](n+) (L = Cl-, trifluoromethanesulfonate, H2O; 1-(3-propylammonium)cyclam = 1-(3-propylammonium)-1,4,8,11-tetraazacyclotetradecane) are described. The pK(a) values of the propylammonium branch are 7.6 and 7.8 for the dichloro and chlorohydroxo complexes, respectively. The reduction potentials, E-1/2', for the Ru-III/II processes are -385 and -240 mV vs Ag/AgCl for the dichloro and chloroaqua complexes, respectively. All compounds have one UV-Vis absorption band in the 300-360 nm assigned as ligand to metal charge transfer, similar to the corresponding cyclam complexes. The complex trans-[(RuCl2)-Cl-III(1-(3-propylammonium)cyclam)](2+) releases one Cl- forming trans-[(RuCl2)-Cl-III(H2O)(1-(3-propylammonium)cyclam)](2+) in aqueous solution at pH 1 (k = 8.2 x 10(-5) s(-1); 25 degreesC); the coordinated water of trans-[(RuCl)-Cl-III(H2O)(1-(3-propylammonium)cyclam)](3+) has a pK(a) of 3.1. The reduced complex trans-[(RuCl2)-Cl-II(1-(3-propylammonium)cyclam)](+) aquates chloride by pseudo-first-order kinetics with k = 0.29 s(-1). Those rates are larger than in the corresponding cyclam complexes and are explained on the basis of the decrease of cyclam nitrogen-hydrogen bonding interactions with the chloro ligands in the substituted cyclam. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00303-7