(2,5-bis[(di-tert-butylphosphino)methyl]ferrocen-1-yl)dicarbonylruthenium(II) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate | 1130568-50-1

• 英文名称: (2,5-bis[(di-tert-butylphosphino)methyl]ferrocen-1-yl)dicarbonylruthenium(II) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• CAS: 1130568-50-1；1247712-93-1
• 化学式: C₃₀H₄₇FeO₂P₂Ru*C₃₂H₁₂BF₂₄
• 分子量: 1521.79
• InChiKey: UQCYAHCLUNDLEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (RuH(CO)[(2,5-(t-Bu2PCH2)2C5H3)Fe(C5H5)])(B(3,5-(CF3)2C6H3)4) 以 二氯甲烷-D2 为溶剂， 以80%的产率得到(2,5-bis[(di-tert-butylphosphino)methyl]ferrocen-1-yl)dicarbonylruthenium(II) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
  参考文献：
  名称：

  Cationic Ruthenium Hydrido−Carbonyls Derived from Metallocene-Based Pincers: Unusual Rearrangements and H₂ Evolution with Formation of Cationic Ruthenium Metallocenylidenes

  摘要：

  Cationic ruthenium hydrido-carbonyls {RuH(CO)[(BuP)-Bu-t,CH,P-M]}BAr4F (M = Fe, 3; M = Ru, 4) (Ar-F = 3,5-(CF3)(2)C6H3) obtained in the reaction of H-2 with RuCl(CO)[P-tBu,C,P-M] (M = Fe, 1; M = Ru, 2) in the presence of NaBArF4 add CO smoothly, giving the corresponding dicarbonyl complexes {RuH(CO)(2)[P-tBu,CH,PM]}BAr4F (M = Fe, 11; M = Ru, 12). According to X-ray analysis of 11 and 12, addition of extra CO to complexes 3 and 4 leads to strengthening of the C(1)-H(1)center dot center dot center dot Ru(1) agostic interaction. Simultaneously, CO addition to 3 and 4 triggers a sequence (up to three steps) of unprecedented intramolecular rearrangements including migration of H atoms. First metallocenylidene complexes {Ru(CO)(2)[P-tBu,C,P-M]}BAr4F (M = Fe, 15; M = Ru, 16) were obtained in the course of these rearrangements accompanied by H-2 evolution.

  DOI：

  10.1021/om100667p

文献信息

• Ruthenium complexes with ferrocene-based P,C,P pincer ligand
  作者：A. M. Sheloumov、F. M. Dolgushin、M. V. Kondrashov、P. V. Petrovskii、Kh. A. Barbakadze、O. I. Lekashvili、A. A. Koridze

  DOI：10.1007/s11172-007-0273-z

  日期：2007.9

  AbstractFirst ruthenium complexes with a ferrocene-based pincer ligand were synthesized. The cyclometallation of 1,3-bis[(di-tert-butylphosphino)methyl]ferrocene with RuCl2(DMSO)4 in 2-methoxyethanol afforded the RuCl(CO)[2,5-(But2PCH2)2C5H2}Fe(C5H5)](RuCl(CO) $$[^Bu^t } P,C,P^Fe} ]$$ ) complex (5). Complex 5 reversibly binds CO to form the RuCl(CO)2 $$[^Bu^t } P,C,P^Fe} ]$$ complex (6). The analogous

  摘要 合成了第一个具有二茂铁基钳状配体的钌配合物。1,3-双[(二叔丁基膦)甲基]二茂铁与RuCl2(DMSO)4在2-甲氧基乙醇中的环金属化得到RuCl(CO)[2,5-(But2PCH2)2C5H2}Fe(C5H5) ](RuCl(CO) $$[^Bu^t } P,C,P^Fe} ]$$ ) 络合物 (5)。复合物 5 可逆地结合 CO 形成 RuCl(CO)2 $$[^Bu^t } P,C,P^Fe} ]$$ 复合物 (6)。在 NaBAr'4 (Ar' = 3,5-(CF3)2C6H3) 存在下的类似反应产生了阳离子络合物 Ru(CO)2 $$[^Bu^t } P,C,P^Fe } ]$$ }BAr′4 (7)。配合物 5 和 7 的结构是通过单晶 X 射线衍射确定的。X 射线衍射研究揭示了轴向（相对于二茂铁铁原子外向取向）叔丁基的 CH 键之一与配合物 5 和 7