[Ru(cyclopentadienyl)(pentakis(3-pentoxycarbonyl)cyclopentadienyl)] | 1256564-78-9

• 英文名称: [Ru(cyclopentadienyl)(pentakis(3-pentoxycarbonyl)cyclopentadienyl)]
• 英文别名: [Ru(η5-Cp)(η5-C5(CO2(3-C5H11))5)]
• CAS: 1256564-78-9
• 化学式: C₄₀H₆₀O₁₀Ru
• 分子量: 801.98
• InChiKey: QLGQUAAJTRSVRT-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：

  3-戊醇 、 ruthenocenepentacarboxylic acid dihydrate 在 HCl 作用下， 以 further solvent(s) 为溶剂， 以22%的产率得到[Ru(cyclopentadienyl)(pentakis(3-pentoxycarbonyl)cyclopentadienyl)]
  参考文献：
  名称：

  Synthesis, Spectroscopic Characterization, and Cytotoxic Evaluation of Pentasubstituted Ruthenocenyl Esters

  摘要：

  This article details the preparation and spectroscopic characterization of a focused library of new 18-electron ruthenocenyl complexes incorporating pentasubstituted Cp ester [C-5(CO2R)(5)](-) (for R = Me, Et, n-Pr, n-Bu, 2-Pr, 3-Pent, phenyl, and n-thiopropyl), carboxylic acid [C-5(CO2H)(5)](-), and carboxylate ligands [C-5(CO2H)(4)(CO2)](2-). Each complex has been characterized using Fourier transform IR and NMR spectroscopy and electrospray mass spectrometry, with single-crystal X-ray structural determinations reported for four complexes: [Ru(eta(5)-C5H4(C-5(CO2CH3)(5))(eta(5)-C-5(CO2CH3)(5))], K[Ru(eta(5)-C5H5)(eta(5)-C-5(CO2H)(4)(CO2))]center dot H2O [Ru(eta(5)-C5H5)(eta(5)-C-5(CO2H)(5))] center dot 2H(2)O, and [Ru(eta(5)-C5H5)(eta(5)-C-5(CO2C6H5)(5))]. Complexes were also evaluated for in vitro cytotoxic activity against a diverse panel of tumorigenic cell lines and a normal human cell line.

  DOI：

  10.1021/om100645y