(pentahapto-pentamethylcyclopentadienyl)Ti(imino-2,2,2',2',2'',2''-tetramethyl-2,2',2''-triethanolate) | 937245-84-6

• 英文名称: (pentahapto-pentamethylcyclopentadienyl)Ti(imino-2,2,2',2',2'',2''-tetramethyl-2,2',2''-triethanolate)
• 英文别名: Cp*Ti(N(CH2CMe2O)3)
• CAS: 937245-84-6
• 化学式: C₂₂H₃₉NO₃Ti
• 分子量: 413.437
• InChiKey: ALCYBHZQQZVTSD-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

• 作为产物：
  描述：

  imino-2,2,2',2',2'',2''-hexamethyl-2,2',2''-triethanole 、 (五甲基环戊二烯基)三氯化钛(IV) 在 triethyl amine 作用下， 以 二氯甲烷 为溶剂， 以97%的产率得到(pentahapto-pentamethylcyclopentadienyl)Ti(imino-2,2,2',2',2'',2''-tetramethyl-2,2',2''-triethanolate)
  参考文献：
  名称：

  Synthesis, X-ray structures, and syndiospecific polymerization behavior of styrene of new (pentamethylcyclopentadientyl) titanatranes containing modified tetradentate triethanolamine ligands

  摘要：

  A series of monomeric pentamethylcyclopentadienyltitanatranes, Cp*Ti(OCH2CH2)(n)N(CH2CMe2OH)(3-n) [n = 0, 1; n - 1, 2; n - 2, 3], were synthesized by the reaction of Cp*TiCl3 with corresponding triethanolamines such as (HOCH2CH2)(n)N(CH2CMe2OH)(3-n) (n = 0, L1H(3); n = 1, L2H3; n = 2, L3H3), which varied by the number of CMe2 groups adjacent to an OH functionality from 3 (L1H(3)) to 2 (L2H(3)) to 1 (L3H(3)), in the presence of NEt3. All complexes were characterized by elemental analysis and solution H-1 and C-13{H-1} NMR spectroscopy. Moreover, their solid state structures, which are slightly distorted three-legged piano stool geometry, have been confirmed by single crystal X-ray diffraction analysis. On activation with methylaluminoxane (MAO), these complexes showed good catalytic activity for the polymerization of styrene producing syndiotactic polystyrene (SPS) with high molecular weights. Compounds 1 and 2 bearing more than two pairs of methyl substituents on the side arms of triethanolamines showed the enhanced catalytic activities as the polymerization temperature went up from 50 degrees C to 110 degrees C, whereas less bulky complexes 3 and Cp*Ti(OCH2CH2)(3)N (4) gave the decreased activities as polymerization temperature rose. Unlike 3 and 4, complexes 1 and 2 in the presence of MAO as a cocatalyst gave SPS with controlled bimodal molecular weight distribution. Bimodal properties were much distinct at low polymerization temperature. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.12.010