monolithium mono(3,3'-(propane-1,3-diyl)bis(cyclopenta-2,4-dien-1-ide)) | 87174-47-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: monolithium mono(3,3'-(propane-1,3-diyl)bis(cyclopenta-2,4-dien-1-ide))
• CAS: 87174-47-8
• 化学式: C₁₃H₁₄*2Li
• 分子量: 184.136
• InChiKey: RVWJNMKENJFDFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  dichlorotetrakis(dimethylsulfoxide)ruthenium(II) 、 monolithium mono(3,3'-(propane-1,3-diyl)bis(cyclopenta-2,4-dien-1-ide)) 以 四氢呋喃 为溶剂， 反应 16.5h， 以22%的产率得到1,3-(1,1'-ruthenocenediyl)propane
  参考文献：
  名称：

  环戊二烯基环倾斜对电子转移反应的影响：氧化还原诱导的[2]和[3]钌甲壳烷的反应性

  摘要：

  与此相反，以钌的[Ru（η 5 -C 5 H ^ 5）2 ]和dimethylruthenocene的[Ru（η 5 -C 5 H ^ 4 Me）的2 ]（7），化学的高度紧张，环倾斜的[2] ruthenocenophane氧化的[Ru（η 5 -C 5 H ^ 4）2（CH 2）2 ]（5）和略微应变[3] ruthenocenophane的[Ru（η 5 -C 5 H ^ 4）2（CH 2）3 ]（6）用含有非配位[B（C阳离子氧化剂6 ˚F 5）4 ] -阴离子被发现，得到稳定的和可分离的金属金属粘结的双阳离子二聚体盐的[Ru（η 5 -C 5 H ^ 4）2（CH 2）2 ] 2 [B（C 6 ˚F 5）4 ] 2（8）和的[Ru（η 5 -C 5 H ^ 4）2（CH 2）3 ] 2 [B（C6 F 5）4 ] 2（17）。循环伏安法和DFT研究表明，氧化电位，二聚化倾向和所

  DOI：

  10.1002/chem.201403512

文献信息

• Electron-imbalanced metallocenophanes. Synthesis and molecular structure of 1,3-(.eta.5,.eta.5-dicyclopentadienyl)propane-3,5-dichloropyridinemanganese(II)
  作者：J. Tracy Weed、Michael F. Rettig、Richard M. Wing

  DOI：10.1021/ja00359a036

  日期：1983.10
• Syntheses of polymethylene bridged dinuclear zirconocenes and investigation of their polymerisation activities
  作者：Seok Kyun Noh、Jongmun Kim、Jaehoon Jung、Choon Sup Ra、Dong-ho Lee、Hun Bong Lee、Sang Won Lee、Wan Soo Huh

  DOI：10.1016/s0022-328x(98)01085-7

  日期：1999.5

  The polymethylene bridged dinuclear zirconocenes [(CH2)(n) (C5H4)(2)][(C9H7)ZrCl2](2) (n = 3 (10), 5 (11), 7 (12), 9 (13)) have been synthesised by treating not only the respective disodium salts of the ligands with two equivalents of (C9H7)ZrCl3 in THF, but also the distannylated derivatives of the ligands with two equivalents of (C9H7)ZrCl3 in toluene. All complexes are characterised by H-1- and C-13-NMR and mass spectrometry and elemental analysis. It turned out that the values of Delta delta = [delta(d) - delta(p)], the chemical shift difference between the distal (delta(d)) and proximal (delta(p)) protons, for the produced dinuclear compounds (0.1 for 10 and 11, and 0.11 for 12 and 13) were smaller than the Delta delta values of the known polysiloxane bridged dinuclear compounds. The chemical shifts of the bridgehead carbons in these complexes are about 135 ppm shifted downfield with respect to the other two resonances at cyclopentadienyl ring (113.7 and 113.7 ppm, respectively). In order to investigate the catalytic properties of the dinuclear complexes and mononuclear metallocenes, ethylene polymerisation has been conducted in the presence of MMAO. The most important feature is that the polymethylene bridged dinuclear metallocenes represent enormously improved activities compared with the activities from the corresponding mononuclear metallocene as well as the polysiloxane bridged dinuclear zirconocenes. In addition, the influence of both the nature and length of the bridging ligand upon the reactivities of the dinuclear metallocenes has also been observed. (C) 1999 Elsevier Science S.A. All rights reserved.
• Synthesis and Structures of Strained, Neutral [d⁷] and Cationic [d⁶] Hydrocarbon-Bridged [<i>n</i>]Cobaltocenophanes (<i>n</i> = 2, 3)
  作者：Ulrich F. J. Mayer、Jonathan P. H. Charmant、James Rae、Ian Manners

  DOI：10.1021/om700941v

  日期：2008.4.1

  The first neutral and paramagnetic [n]cobaltocenophanes Co(eta(5)-C5H4)(2)(CH2)(2) (5) and Co(eta(5)-C5H4)(2)(CH2)(3) (6) with sterically undemanding hydrocarbon bridges were prepared by the reaction of CoCl2 with the corresponding ligand precursor (LiC5H4)(2)(CH2)(n) (n = 2 for 5; n = 3 for 6) in THF. In order to analyze the ring strain present, the molecular structures of 5 and 6 were determined using single-crystal X-ray diffraction. The neutral, paramagnetic 19-valence-electron [2]cobaltocenophane 5 is substantially distorted from metallocene-type geometry (tilt angle alpha: 27.1(4)degrees) and therefore highly strained, whereas [3]cobaltocenophane 6 is only moderately distorted (alpha: 12.0(11)degrees). Both 5 and 6 were readily oxidized with NH4Cl in the presence of atmospheric oxygen to form the corresponding cationic [n]cobaltocenophane salts [Co(eta(5)-C5H4)(2)(CH2)(n)(+)][A(-)] 7 and 8 (n = 2) and 9 (n = 3). Compound 7 (A = Cl) was isolated by means of extraction into CH2Cl2, whereas 8 and 9 were isolated by phase precipitation from aqueous solutions of NaPF6. The X-ray analysis for cationic, diamagnetic, 18-valence-electron [2]cobaltoceniumphane 7 revealed substantially less distortion from metallocene-type geometry (tilt-angle alpha: 21.4(2)degrees) compared to paramagnetic 19-valence-electron compound 5. In order to examine the electronic structures of 5, 6, 8, and 9, solution UV-vis spectra were recorded, and these reflected the increasing distortion as a result of the introduction of progressively shorter ansa-bridges. Cyclic voltammetric analysis of 8 and 9 in CH2Cl2 revealed that each cobaltoceniumphane exhibits a one-electron reduction, whereby redox potentials E degrees appeared to vary as a function of the tilt angle.