| 243662-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 243662-13-7
• 化学式: C₁₇H₂₉Al
• 分子量: 260.399
• InChiKey: KILPPHWPVWEKTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  [Cp2ZrH2*ClAl(iBu)2]2 、 2-苯基-1-丙烯 以 苯 为溶剂， 生成 、
  参考文献：
  名称：

  New effective reagent [Cp2ZrH2·ClAlEt2]2 for alkene hydrometallation

  摘要：

  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.

  DOI：

  10.1016/j.jorganchem.2007.04.007

文献信息

• 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.