[Ru(η1,η2-C(C2Fc)C(dbu)CHC2CHFc)(P(m-tol)3)Cp]PF6 | 1268625-84-8

• 英文名称: [Ru(η1,η2-C(C2Fc)C(dbu)CHC2CHFc)(P(m-tol)3)Cp]PF6
• 英文别名: [ruthenium(η1,η2-C(C2(ferrocenyl))C(1,8-diazabicyclo[5.4.0]undec-7-ene)CHC2CH(ferrocenyl))(P(m-tol)3)Cp]PF6
• CAS: 1268625-84-8
• 化学式: C₆₃H₆₂Fe₂N₂PRu*F₆P
• 分子量: 1235.9
• InChiKey: AKZDKAMOWSSHOK-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：

  六氟磷酸钾 、 CpRu(P(m-MeC6H4)3)2Cl 、 1-ferrocenyl-1,3-butadiyne 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 以 四氢呋喃 为溶剂， 以62%的产率得到[Ru(η1,η2-C(C2Fc)C(dbu)CHC2CHFc)(P(m-tol)3)Cp]PF6
  参考文献：
  名称：

  Dimerisation and reactivity of HCCCCFc at ruthenium centres

  摘要：

  In contrast to the simple diynyl complexes formed in reactions between HC CC CFc and MCl(dppe) Cp*; (M = Fe, Ru), an analogous reaction with RuCl(PPh(3))(2)Cp*: in the presence of KPF(6) and dbu resulted in dimerisation of the diyne at the Ru centre to afford a mixture of [Ru(eta(1),eta(2)-C(C CFc)=C(L)CH=CC=CHFc)(PPh(3))Cp*]PF(6) (L = dbu 1, PPh(3) 2). Similar reactions with RuCl(PR(3))(2)L gave [Ru{eta(1),eta(2)-C(C CFc)=C (dbu)CH=CC=CHFc}(PR(3))L]PF(6)(L = Cp, R = Ph 3, m-tol 4; L =.eta(5)-C(9)H(7), R = Ph 5). The reaction between 3 and 12, followed by crystallization of the paramagnetic product from MeOH, afforded the dicationic [Ru{C (C CFc)C(dbu)CH=C(OMe)C(OMe)=CHFc}(PPh(3))Cp](I(3))(2) 6. The molecular structures of 2 center dot 2CH(2)Cl(2) and 6.S (S = 2CH(2)Cl(2), C(6)H(6)) were determined by single-crystal XRD studies. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.035