octylidenebis(diisobutylaluminium) | 4145-75-9

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡后金属化合物
• 英文名称: octylidenebis(diisobutylaluminium)
• 英文别名: Diisobutyl-n-octyl-alan；Diisobutyl(n-octyl)aluminium；C8H17Al(iso-C4H9)2；(i-Bu)2AlC8H17
• CAS: 4145-75-9
• 化学式: C₁₆H₃₅Al
• 分子量: 254.435
• InChiKey: YFDQPYLDAJPJSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.15
• 重原子数：
  17
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  三正丁基氢锡 、 octylidenebis(diisobutylaluminium) 以 环己烷 为溶剂， 生成 tributyl(octyl)stannane
  参考文献：
  名称：

  Schneider, B.; Neumann, W. P., Liebigs Annalen der Chemie, 1967, vol. 707, p. 7 - 14

  摘要：

  DOI：
• 作为产物：
  描述：

  辛烯 、 二异丁基氢化铝 在 二氯二茂锆 作用下， 以 苯 为溶剂， 以17%的产率得到octylidenebis(diisobutylaluminium)
  参考文献：
  名称：

  Cp2ZrCl2催化烷基丙烷催化烯烃氢铝反应的机理

  摘要：

  通过动态 1H 和 13C NMR 光谱研究了 Cp2ZrCl2 催化的异丁基丙烷（HAlBui2、AlBui3、ClAlBui2）加氢铝化α-烯烃的中间体组成。Cp2ZrCl2 与异丁丙烷反应生成负责 α-烯烃氢铝化的配合物 (Cp2ZrHCl·HAlBui2)2。

  DOI：

  10.1007/s11172-005-0254-z

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Verb.2, 1.1.2.5.1, page 272 - 276
  作者：

  DOI：——

  日期：——
• New effective reagent [Cp2ZrH2·ClAlEt2]2 for alkene hydrometallation
  作者：Lyudmila V. Parfenova、Rushana F. Vil’danova、Svetlana V. Pechatkina、Leonard M. Khalilov、Usein M. Dzhemilev

  DOI：10.1016/j.jorganchem.2007.04.007

  日期：2007.7

  New bimetallic complex [CP2ZrH2 . ClAlEt2](2) (1) was synthesized, and its reactivity in hydrometallation reaction with the following alkenes was studied: hept-l-ene, okt-l-ene, alpha-methylstyrene, (IS)-beta-pinene, (+)-camphene. Complex 1 shows the highest reactivity among the other known AI,Zr-bimetallic complexes: [CP2ZrH2 . ClAlBu2i](2) (2), [CP2ZrH2 . AlEt3](2) (3), [CP2ZrH2 . AlBu3i](2) (4) and [CP2ZrH2 . HAlBu2i] (5) as well as organoaluminium compounds (OAC): (BU2AlH)-B-i, (Bu3Al)-Bu-i and (Bu2AlCl)-Bu-i in presence of Zr catalysts. Chlorine containing complexes 1 and 2 appear to be more effective in alkene hydrometallation, and relative hydrometallation rates are (1S)-beta-pinene <= (+)-camphene < alpha-methylstyrene < oct-l-ene < hept-l-ene. Hydrometallation of (1S)-beta-pinene and its subsequent oxidation with 12 run with high diastereoselectivity and yield trans-myrtanol. However, the diastereoselectivity of (+)-camphene hydrometallation is less than that for (1S)-beta-pinene, and the reaction gives predominately endo-camphanol. (c) 2007 Elsevier B.V. All rights reserved.
• Kuchin, A. V.; Markova, S. A.; Tolstikov, G. A., Journal of general chemistry of the USSR, 1988, vol. 58, # 4, p. 829 - 830
  作者：Kuchin, A. V.、Markova, S. A.、Tolstikov, G. A.

  DOI：——

  日期：——
• A New Protocol for the Enantioselective Synthesis of Methyl-Substituted Alkanols and Their Derivatives through a Hydroalumination/Zirconium-Catalyzed Alkylalumination Tandem Process We thank the National Science Foundation (CHE-0080795), the National Institutes of Health (GM36792), and Purdue University for support of this research. We also thank Albemarle and Boulder Chemical for assistance in the procurement of Al and Zr compounds, respectively.
  作者：Shouquan Huo、Ji-cheng Shi、Ei-ichi Negishi

  DOI：10.1002/1521-3773(20020617)41:12<2141::aid-anie2141>3.0.co;2-w

  日期：2002.6.17
• Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBuⁱ₂ (X = H, Cl, Buⁱ), Catalyzed by Zr η⁵ Complexes
  作者：Lyudmila V. Parfenova、Pavel V. Kovyazin、Ilya E. Nifant’ev、Leonard M. Khalilov、Usein M. Dzhemilev

  DOI：10.1021/acs.organomet.5b00370

  日期：2015.7.27

  The zirconocene complexes L2ZrCl2 (L = C5H5, C5H4Me, Ind, C5Me5; L-2 = rac-Me2C(2-Me-4-Bu-t-C5H2)(2), meso-Me2C(2-Me-4-Bu-t-C5H2)(2), rac-Me2C(3-Bu-t-C5H3)(2), rac-Me2C(Ind)(2), rac-Me2Si(Ind)(2), and rac-C2H4(Ind)(2)) were tested as catalysts in alkene hydroalumination by the isobutylalanes XAlBu2i (X = H, Cl, Bu-i). A low-temperature NMR spectroscopy study on the structure and dynamics of Zr,Al intermediates formed in the L2ZrCl2-XAlBu2i systems showed that the intra- and intermolecular exchange in the bimetallic clusters, controlled by the steric factor of the eta(5) ligand and organoaluminum compound nature, determines the activity of the whole catalytic system.