quinoline-2-carboxylate;ruthenium(2+) | 168562-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: quinoline-2-carboxylate;ruthenium(2+)
• CAS: 168562-53-6
• 化学式: C₄₀H₂₄N₄O₈Ru₂
• 分子量: 890.793
• InChiKey: CBCMLDZHOHMCME-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  54
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  212
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  喹哪啶酸 、 tetraacetatodiruthenium chloride 以 甲醇 为溶剂， 生成 quinoline-2-carboxylate;ruthenium(2+)
  参考文献：
  名称：

  Influence of carboxylic acids on the reactions with chlorotetraacetatodiruthenium(II,III): X-ray crystal structure of [Ru2(μ-O2CC4H3S)4(OPPh3)2]BF4·2H2O

  摘要：

  The reaction of Ru2Cl(mu-O2CCH3)(4) with indole-2-carboxylic, N-methyl-pyrrole-2-carboxylic, furane-2-carboxylic, thiophene-2-carboxylic and benzofurane-2-carboxylic acids, which contain nitrogen, oxygen or sulphur atoms in the alpha position with respect to the carboxylate group, leads to compounds of the type Ru2Cl(mu-O(2)CR)(4). In these compounds O,O-coordination of the carboxylate ligands has been found. The analogous reaction with quinoline-2-carboxylic acid (Hquin) gives a disproportionation process with formation of Ru(quin)(3) and Ru-2(quin)(4); in this case, N,O-coordination of the ligand has been observed. The indole-2-carboxylato derivative has a non-polymeric structure, whereas with the other ligands polymeric structures with chlorine atoms bridging Ru-2(5+) units are formed. Treatment of Ru2Cl(mu-O(2)CR)(4) in thf or acetone with AgBF4 gave [Ru-2(mu-O(2)CR)(4)L(2)]BF4 (L = thf, acetone; R = N-methyl-2-pyrrolyl, 2-furyl, 2-thienyl) or [Ru-2(mu-O(2)CR)(4)]BF4 (R = 2-benzofuryl). The axial positions of these compounds can be occupied by OPPh(3) to give the corresponding [Ru-2(mu-O(2)CR)(4)(OPPh(3))(2)]BF4. The compounds have been characterized by analytical, spectroscopic and magnetic data. The structure of [Ru-2(mu-O2CC4H3S)(4)(OPPh(3))(2)] BF4 . 2H(2)O has been determined by X-ray crystallography. The dinuclear cation has two ruthenium atoms linked by four bridging thiophene-2-carboxylate ligands and two OPPh(3) ligands coordinated to axial positions, with an Ru-Ru distance of 2.2747(11) Angstrom.

  DOI：

  10.1016/0277-5387(95)00070-9