2-ruthenocenyl-4,4,5,5-tetramethyl-1,3-dioxa-2-borolane | 473926-52-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-ruthenocenyl-4,4,5,5-tetramethyl-1,3-dioxa-2-borolane
• 英文别名: 2-ruthenocenyl-1,3-dioxa-2-boronane；2-ruthenocenyl-1,3-dioxaborolane；cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ruthenium(2+)
• CAS: 473926-52-2
• 化学式: C₁₆H₂₁BO₂Ru
• 分子量: 357.223
• InChiKey: HEKBWIFGTSRNGN-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  1-ferrocenyl-4-iodobenzene 、 2-ruthenocenyl-4,4,5,5-tetramethyl-1,3-dioxa-2-borolane 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium hydroxide 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 20.0h， 以33%的产率得到1-ferrocenyl-4-ruthenocenylbenzene
  参考文献：
  名称：

  Fe、Ru、Os杂核双茂金属化合物的茂金属间交叉偶联反应与氧化研究

  摘要：

  通过 Suzuki-Miyaura 偶联反应或 Negishi 偶联反应合成了杂核双茂金属化合物、二茂铁 (FcRc)、二茂铁 (FcOc)、二茂铁 (RcOc) 和 1-二茂铁-4-钌基苯 (FcPhRc)。当这些化合物被 I2 氧化时，混合价化合物，[(C5H5)FeII(C5H4-C5H4)OsIV-I(C5H5)]I3 (1)，[(C5H5)RuII(C5H4-C5H4)OsIV-I(C5H5) )]I3(3)和[(C5H5)FeIII(C5H4-Ph-C5H4)RuIV-I(C5H5)](I3)2(4)。通过使用 57Fe Mossbauer 光谱和变温 1H NMR 光谱研究了价态。FcOc 也被 [(C5H5)2RuIV-Cl]PF6 氧化，得到二茂铁-Cl加合物 [(C5H5)FeII(C5H4-C5H4)OsIV-Cl(C5H5)]PF6 (2)。在高温溶液中通过 1 H

  DOI：

  10.1246/bcsj.20160149
• 作为产物：
  描述：

  二茂钌 、 三溴化硼 、 dilithium pinacolate 以 四氢呋喃 、 正己烷 为溶剂， 以66%的产率得到2-ruthenocenyl-4,4,5,5-tetramethyl-1,3-dioxa-2-borolane
  参考文献：
  名称：

  The synthesis and redox behaviors of binuclear ruthenocene derivatives bridged by an aromatic moiety

  摘要：

  2-Ruthenocenyl-4,4,5,5-tetramethyl-1,3-dioxa-2-borolane was prepared by the boration and the subsequent reaction with dilithium pinacolate as the starting material of the Suzuki-Miyaura coupling reaction. The dioxaborolane was heated with 1,4-dibromobenzene, 1,2-diiodobenzene, 4,4'-dibromobiphenyl, 1,4-dibromonaphthalene, and 2,6-dibromonaphthalene in the presence of (dppf)PdCl2-aqueous NaOH in DME to give the corresponding bis(ruthenocenyl) derivatives in moderate yields. The reaction of the dioxaborolane with 2,2'-diiodobiphenyl and 1,8-diiodo-naphthalene in the presence of Pd(PPh3)(4)-Cs-2(CO)(3) in N,N-dimethylformamide (DMF) produced ruthenoceno[1]phenanthrene and ruthenocenyl[a]acenaphthylene in low yield, respectively. The result of the cyclic voltammetry suggests that there is weak electronic interaction between the two metal sites in the two-electron oxidized species of the binuclear ruthenocene derivatives with an aromatic bridge. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01407-9

文献信息

• Synthesis and Some Properties of Bis(ruthenocenyl)thiophene Derivatives – Possible Spin‐Coupling in the Two‐Electron Oxidized Species of Dinuclear Ruthenocenes Bridged by Thiophene Derivatives
  作者：Masaru Sato、Yusuke Kubota、Atsushi Tanemura、Genta Maruyama、Takashi Fujihara、Juzo Nakayama、Toshiyuki Takayanagi、Kenta Takahashi、Kei Unoura

  DOI：10.1002/ejic.200600370

  日期：2006.11

  The binuclear ruthenocene derivatives bridged by thiophene, 3,4-ethylenedioxythiophene, 2,2′-bithiophene, thieno[3,2-b]thiophene, or 3,6-dimethylthieno[3,2-b]thiophene were prepared by the Suzuki coupling of 2-ruthenocenyl-4,5-tetramethyl-1,3-dioxaborolane with the corresponding diiodo compounds. In addition, thiophene- and bithiophene-bridged binuclear pentamethylruthenocenes were prepared by the

  Suzuki公司制备了由噻吩、3,4-亚乙基二氧噻吩、2,2'-联噻吩、噻吩并[3,2-b]噻吩或3,6-二甲基噻吩并[3,2-b]噻吩桥接的双核钌衍生物2-ruthenocenyl-4,5-tetramethyl-1,3-dioxaborolane 与相应的二碘化合物的偶联。此外，噻吩和联噻吩桥连的双核五甲基钌分别通过双（五甲基钌基）二炔和四炔与 NaSH 反应制备。这些复合物的循环伏安图在较低电位区域（0-0.3 V 对 FcH/FcH+）表现出一步两电子氧化还原波。噻吩桥联双核钌茂衍生物的双电子氧化物种相对稳定，采用自旋耦合和结构异构化的富烯配合物型结构。双(五甲基钌基)噻吩的氧化物质的固体结构通过X-射线衍射分析确定。噻吩并 [3,2-b] 噻吩桥连的类似物在 CD3NO2 中显示出与温度相关的 1H NMR 谱。双阳离子物质在 CD3CN 中作为 RuII-RuIV 混合价物质存在。
• Synthesis and some properties of binuclear ruthenocene derivatives bridged by both ethene and thiophene derivatives
  作者：Masaru Sato、Tatsumi Kitamura、Tomohiro Masiko、Kei Unoura

  DOI：10.1016/j.jorganchem.2007.07.057

  日期：2008.1

  Binuclear ruthenocenes bridged by ethenes and thiophene derivatives, Rc-CH=CH-Z-Rc and Rc*-CH=CH-Z CH=CH-Rc* (Z = thiophene, thieno[3,2-b]thiophene, and 2,2'-bithiophene; Rc = ruthenocenyl, R* = 1',2',3',4',5'-pentamethylruthenocenyl) were prepared. These complexes showed a one-step two-electron redox wave in the cyclic voltammograms, in contrast to the benzenoid-bridged dinuclear ruthenocenes. The chemical oxidation of the Rc-CH=CH-Z-Rc complexes gave no stable oxidized species. The two-electron oxidized species of the Rc*-CH=CH-Z-CH=CH-Rc* complexes were comparably stable and contained a fulvene-complex type structure. (C) 2007 Elsevier B.V. All rights reserved.