[1,3,5-tri(dodecyl)-1,3,5-triazacyclohexane]chromium trichloride | 299176-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: [1,3,5-tri(dodecyl)-1,3,5-triazacyclohexane]chromium trichloride
• 英文别名: Trichlorochromium;1,3,5-tridodecyl-1,3,5-triazinane
• CAS: 299176-12-8
• 化学式: C₃₉H₈₁Cl₃CrN₃
• 分子量: 750.447
• InChiKey: KMTZIUZHULSMTK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  14.61
• 重原子数：
  46
• 可旋转键数：
  33
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [1,3,5-tri(dodecyl)-1,3,5-triazacyclohexane]chromium trichloride 、 氘代苯 、 N,N-二甲基苯铵四(五氟苯基)硼酸盐 在 Al(i-Bu)3 作用下， 以 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Coordination chemistry of the activation of [(triazacyclohexane)CrCl3] with [PhNMe2H][B(C6F5)4] and AlR3

  摘要：

  Complexes of N-substituted 1,3,5-triazacyclohexanes with CrCl3 form 1:1 adducts with [PhNMe2H][B(C6F5)(4)] with increased solubility in toluene. Addition of (AlBu3)-Bu-i leads to free PhNMe2 and a complex with [B(C6F5)(4)](-) weakly coordinated to chromium via a meta-fluorine atom. This complex can polymerise and/or trimerise olefins similar to methyl aluminoxane activated complexes. Decomposition of the active complex involves transfer of the triazacyclohexane to aluminium leading to [(triazacyclohexane) (AlBu2)-Bu-i][B(C6F5)(4)] and [(arene)(2)Cr][B(C6F5)(4)]. These chromium(I) complexes have been characterised by X-ray crystallography and prove that chromium is reduced to the oxidation state +I during the catalysis. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00634-x

文献信息

• Coordination chemistry of the activation of [(triazacyclohexane)CrCl3] with [PhNMe2H][B(C6F5)4] and AlR3
  作者：Randolf D Köhn、David Smith、Mary F Mahon、Martina Prinz、Shahram Mihan、Gabriele Kociok-Köhn

  DOI：10.1016/s0022-328x(03)00634-x

  日期：2003.10

  Complexes of N-substituted 1,3,5-triazacyclohexanes with CrCl3 form 1:1 adducts with [PhNMe2H][B(C6F5)(4)] with increased solubility in toluene. Addition of (AlBu3)-Bu-i leads to free PhNMe2 and a complex with [B(C6F5)(4)](-) weakly coordinated to chromium via a meta-fluorine atom. This complex can polymerise and/or trimerise olefins similar to methyl aluminoxane activated complexes. Decomposition of the active complex involves transfer of the triazacyclohexane to aluminium leading to [(triazacyclohexane) (AlBu2)-Bu-i][B(C6F5)(4)] and [(arene)(2)Cr][B(C6F5)(4)]. These chromium(I) complexes have been characterised by X-ray crystallography and prove that chromium is reduced to the oxidation state +I during the catalysis. (C) 2003 Elsevier B.V. All rights reserved.