RuCl(CO)[{2,5-(but2PCH2)2C5H2}RuCp] | 1274950-91-2

• 英文名称: RuCl(CO)[{2,5-(but2PCH2)2C5H2}RuCp]
• 英文别名: RuCl(CO)[(2,5-(t-Bu2PCH2)2C5H2)Ru(C5H5)]；(2,5-bis[(di(tert-butyl)phosphino)methyl]ruthenocen-1-yl)chlorocarbonylruthenium
• CAS: 1274950-91-2；1247712-73-7
• 化学式: C₂₉H₄₇ClOP₂Ru₂
• 分子量: 711.232
• InChiKey: BXPOMZCIRLMURE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• 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

• 作为反应物：
  描述：

  RuCl(CO)[{2,5-(but2PCH2)2C5H2}RuCp] 、 氢气 、 四(3,5-二(三氟甲基)苯基)硼酸钠 以 二氯甲烷 为溶剂， 以99%的产率得到(RuH(CO)[(2,5-(t-Bu2PCH2)2C5H3)Ru(C5H5)])(B(3,5-(CF3)2C6H3)4)
  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
• 作为产物：
  描述：

  dichlorotetrakis(dimethylsulfoxide)ruthenium(II) 、 1,3-bis((di-tert-butylphosphino)methyl)ferrocene 在 triethylamine 作用下， 以 乙二醇甲醚 为溶剂， 以72%的产率得到RuCl(CO)[{2,5-(but2PCH2)2C5H2}RuCp]
  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

• P,C,P-Pincer complexes of ruthenium based on ruthenocene and pentamethylruthenocene
  作者：S. V. Safronov、A. M. Sheloumov、A. Z. Kreindlin、A. A. Kamyshova、F. M. Dolgushin、A. F. Smolyakov、P. V. Petrovskii、M. G. Ezernitskaya、A. A. Koridze

  DOI：10.1007/s11172-010-0306-x

  日期：2010.9

  The first ruthenocene- and pentamethylruthenocene-based ruthenium pincer complexes, RuCl(CO)[2,5-(But 2PCH2)2C5H2}Ru(C5H5)] and RuCl(CO)[2,5-(But 2PCH2)2C5H2}Ru-(C5Me5)], were synthesized by cyclometallation of 1,3-(But 2PCH2)2C5H2}Ru(C5H5) and 1,3-(But 2PCH2)2C5H2}Ru(C5Me5), respectively, with RuCl2(DMSO)4 in 2-methoxyethanol and characterized by 1H and 31P1H} NMR spectroscopy, and X-ray diffraction.

  第一个基于钌茂和五甲基钌的钌钳配合物，RuCl(CO)[2,5-(But 2PCH2)2C5H2}Ru(C5H5)]和RuCl(CO)[2,5-(But 2PCH2)2C5H2} Ru-(C5Me5)]，分别通过 1,3-(But 2PCH2)2C5H2}Ru( ) 和 1,3-(But 2PCH2)2C5H2}Ru(C5Me5) 与 RuCl2(DMSO) 环金属化合成)4 在2-甲氧基乙醇中，并通过 1H 和 31P1H} NMR 光谱和 X 射线衍射进行表征。