[(C5Me4CH2)RuCl2]2 | 153820-37-2

• 分子结构分类: 有机化合物
• 英文名称: [(C5Me4CH2)RuCl2]2
• 英文别名: dichlororuthenium;1,2,3,4-tetramethyl-5-methylidenecyclopenta-1,3-diene
• CAS: 153820-37-2；160758-89-4；172722-98-4
• 化学式: C₂₀H₂₈Cl₄Ru₂
• 分子量: 612.394
• InChiKey: IQXQMOREAVVLRX-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  tetrafluoroboric acid 、 萘 、 [(C5Me4CH2)RuCl2]2 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以764 mg的产率得到[(η⁵-C₅Me₄CH₂OH)Ru(η⁶-C₁₀H₈)]BF₄
  参考文献：
  名称：

  Synthesis of amino acid esters of the ruthenium naphthalene complex [(C5Me4CH2OH)Ru(C10H8)]+

  摘要：

  Ruthenium naphthalene complex [(C5Me4CH2OH)Ru(C10H8)](+) (2) with hydroxy-substituted cyclopentadienyl ligand reacts with N-Boc-protected alanine, methionine, phenylalanine, and tryptophan in the presence of dicyclohexylcarbodiimide giving organometallic esters of amino acids [(C5Me4CH2-OOCCH(CH2R)NHBoc)Ru(C10H8)](+) (3a-d) in 70-86% yields. Irradiation of phenylalanine derivative 3c at 365 nm results in replacement of the naphthalene ligand by the phenyl group giving ansa-complex [(eta(5)-C5Me4)CH2OOCCH(CH2-eta(6)-Ph)NHBoc)Ru](+) (4) in 47% yield. Complexes [3c,d] BF4 containing phenylalanine and tryptophan residues effectively inhibit growth of cancer cell lines B16, MeWo, SCOV3, SKBR3, and A549 (IC50 = 21-96 mu M) with activity and selectivity being close to those of the cisplatin. The structure of the alanine derivative [3a]BPh4 was established by X-ray diffraction. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.10.002
• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)ruthenium(III)] 在 air 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 [(C5Me4CH2)RuCl2]2
  参考文献：
  名称：

  Synthesis of amino acid esters of the ruthenium naphthalene complex [(C5Me4CH2OH)Ru(C10H8)]+

  摘要：

  Ruthenium naphthalene complex [(C5Me4CH2OH)Ru(C10H8)](+) (2) with hydroxy-substituted cyclopentadienyl ligand reacts with N-Boc-protected alanine, methionine, phenylalanine, and tryptophan in the presence of dicyclohexylcarbodiimide giving organometallic esters of amino acids [(C5Me4CH2-OOCCH(CH2R)NHBoc)Ru(C10H8)](+) (3a-d) in 70-86% yields. Irradiation of phenylalanine derivative 3c at 365 nm results in replacement of the naphthalene ligand by the phenyl group giving ansa-complex [(eta(5)-C5Me4)CH2OOCCH(CH2-eta(6)-Ph)NHBoc)Ru](+) (4) in 47% yield. Complexes [3c,d] BF4 containing phenylalanine and tryptophan residues effectively inhibit growth of cancer cell lines B16, MeWo, SCOV3, SKBR3, and A549 (IC50 = 21-96 mu M) with activity and selectivity being close to those of the cisplatin. The structure of the alanine derivative [3a]BPh4 was established by X-ray diffraction. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.10.002