{(η(5)-pentamethylcyclopentadienyl)(η6-hexamethylbenzene)chromium(I)

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: {(η(5)-pentamethylcyclopentadienyl)(η6-hexamethylbenzene)chromium(I)
• 化学式: C₂₂H₃₃Cr
• 分子量: 349.5
• InChiKey: OEDZGDXOPRAABD-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：
  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：

  {(η(5)-pentamethylcyclopentadienyl)(η6-hexamethylbenzene)chromium(I) 在 二氯甲烷 作用下， 以 二氯甲烷 为溶剂， 以26%的产率得到(η-pentamethylcyclopentadienyl)(η-hexamethylbenzene)chromium(II) (η-pentamethylcyclopentadienyl)trichlorochromate(III)
  参考文献：
  名称：

  (Arene)cyclopentadienylchromium Chemistry. Synthesis, EPR, NMR, and Cyclic Voltammetry of Neutral Compounds and Their Monocations

  摘要：

  DOI：

  10.1021/ic00121a019
• 作为产物：
  描述：

  [(C5Me5)Cr(μ-Cl)Cl]2 、 六甲基苯 在 三氯化铝 、 氢化铝 作用下， 以 neat (no solvent) 为溶剂， 以75%的产率得到{(η(5)-pentamethylcyclopentadienyl)(η6-hexamethylbenzene)chromium(I)
  参考文献：
  名称：

  (Arene)cyclopentadienylchromium Chemistry. Synthesis, EPR, NMR, and Cyclic Voltammetry of Neutral Compounds and Their Monocations

  摘要：

  DOI：

  10.1021/ic00121a019

文献信息

• Richeson, Darrin S.; Mitchell, John F.; Theopold, Organometallics, 1989, vol. 8, # 11, p. 2570 - 2577
  作者：Richeson, Darrin S.、Mitchell, John F.、Theopold

  DOI：——

  日期：——
• Intermediates of the cyclotrimerization of 2-butyne with a chromium catalyst
  作者：Günther Wilke、Horst Benn、Richard Goddard、Carl Krüger、Brigitta Pfeil

  DOI：10.1016/s0020-1693(00)92419-8

  日期：1992.8

  CP*CrCl2 (6) has been reacted with active magnesium (Mg*) and 2-butyne to yield Cr2[(CCH3)5]2(CCH3)4} (7) and Cr2[(CCH3)5]2(CCH3)6} (8) which are characterized by fly-over ligands. [Cr(CCH3)5(CCH3)6H] (9) and Cr2[(CCH3)5]2(CCH3)4H} (10) were obtained when MgH2 was used instead of Mg*. The structures of the compounds 7, 8, 9 and 10 were established by single-crystal X-ray analyses. Compound 7 crystallizes in the monoclinic space group P2(1)/n with a = 8.826(2), b = 19.505(3), c = 15.369(2) angstrom, beta = 100.11(1)-degrees, V = 2604.7 angstrom3, Z = 4. Compound 8 crystallizes in the monoclinic space group C2/c with a = 14.569(3), b = 10.720(2), c = 18.333(1) angstrom, beta = 102.69(1)-degrees, V = 2793.3 angstrom3, Z = 4. Compound 9 crystallizes in the triclinic space group P1 with a=8.801(l), b = 8.846(1), c = 13.532(1) angstrom, a = 78.91(l), beta = 85.66(1), gamma = 74.56(1)-degrees, V = 996.2 angstrom3, Z = 2. Compound 10 crystallizes in the monoclinic space group P2(1)/n with a = 8.765(1), b = 19.312(2), c = 15.082(1) angstrom, beta = 100.06(1)-degrees, V = 2513.7 angstrom3, Z = 4.
• (Arene)cyclopentadienylchromium Chemistry. Synthesis, EPR, NMR, and Cyclic Voltammetry of Neutral Compounds and Their Monocations
  作者：Frank H. Koehler、Bernhard Metz、Werner Strauss

  DOI：10.1021/ic00121a019

  日期：1995.8