N,N'-bis(2-hydroxo-3-t-butyl-5-methylphenylmethyl)-N,N'-bis(p-chlorobenzyl)ethylenediamine | 1257860-37-9

• 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: N,N'-bis(2-hydroxo-3-t-butyl-5-methylphenylmethyl)-N,N'-bis(p-chlorobenzyl)ethylenediamine
• 英文别名: 2-Tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl-[(4-chlorophenyl)methyl]amino]ethyl-[(4-chlorophenyl)methyl]amino]methyl]-4-methylphenol；2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl-[(4-chlorophenyl)methyl]amino]ethyl-[(4-chlorophenyl)methyl]amino]methyl]-4-methylphenol
• CAS: 1257860-37-9
• 化学式: C₄₀H₅₀Cl₂N₂O₂
• 分子量: 661.755
• InChiKey: NJKKBKWAIIOOQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 叔-丁基对甲酚 、 1,2-bis(p-chlorobenzylamino)ethane 以 甲醇 、 水 为溶剂， 反应 24.0h， 以41%的产率得到N,N'-bis(2-hydroxo-3-t-butyl-5-methylphenylmethyl)-N,N'-bis(p-chlorobenzyl)ethylenediamine
  参考文献：
  名称：

  Titanium isopropoxide complexes of a series of sterically demanding aryloxo based [N2O2]2− ligands as precatalysts for ethylene polymerization

  摘要：

  几种异丙醇钛络合物[N,N²-双(2-氧代-3-R1-5-R2-苯甲基)-N,N²-双(亚甲基-p-R3-C6H4)-乙二胺]Ti(OiPr)2 [R1 = t-Bu，R2 = Me，R3 = H (1b)；R1 = R2 = t-Bu，R3 = H，(2b)；R1 = R2 = Cl, R3 = H, (3b), R1 = t-Bu, R2 = Me, R3 = Cl (4b); R1 = R2 = t-Bu, R3 = Cl, (5b); R1 = R2 = R3 = Cl, (6b)] 已被设计为乙烯聚合的前催化剂。具体来说，当 1bâ6b 复合物与甲基铝氧烷（MAO）在 88 ± 0.5 psi 的乙烯条件下于 30 °C 处理 3 小时后，可生成具有宽分子量分布（PDI = 约 13.1â14.6）的高分子量聚乙烯聚合物（Mw = 约 7.2â8.3 à 105 g molâ1）。1bâ6b配合物是由[N2O2]H2配体1aâ6a与Ti(OiPr)4直接反应合成的，产率为69.86%。

  DOI：

  10.1039/c0dt00407c

文献信息

• Titanium isopropoxide complexes of a series of sterically demanding aryloxo based [N2O2]2− ligands as precatalysts for ethylene polymerization
  作者：Manas K. Panda、Sukhdeep Kaur、Annapureddy Rajasekhar Reddy、Mobin M. Shaikh、Ray J. Butcher、Virendrakumar Gupta、Prasenjit Ghosh

  DOI：10.1039/c0dt00407c

  日期：——

  Several titanium isopropoxide complexes [N,N′-bis(2-oxo-3-R1-5-R2-phenylmethyl)-N,N′-bis(methylene-p-R3-C6H4)-ethylenediamine]Ti(OiPr)2 [R1 = t-Bu, R2 = Me, R3 = H (1b); R1 = R2 = t-Bu, R3 = H, (2b); R1 = R2 = Cl, R3 = H, (3b), R1 = t-Bu, R2 = Me, R3 = Cl (4b); R1 = R2 = t-Bu, R3 = Cl, (5b); R1 = R2 = R3 = Cl, (6b)] supported over sterically demanding aryloxy based [N2O2]H2 ligands have been designed as precatalysts for the ethylene polymerization. Specifically, the 1b–6b complexes, when treated with methylaluminoxane (MAO) under 88 ± 0.5 psi of ethylene at 30 °C for 3 h, produced polyethylene polymers of high molecular weight (Mw = ca. 7.2–8.3 × 105 g mol−1) having broad molecular weight distribution (PDI = ca. 13.1–14.6). The 1b–6b complexes were conveniently synthesized from the direct reaction of the [N2O2]H2 ligands, 1a–6a, with Ti(OiPr)4 in 69–86% yield.

  几种异丙醇钛络合物[N,N²-双(2-氧代-3-R1-5-R2-苯甲基)-N,N²-双(亚甲基-p-R3-C6H4)-乙二胺]Ti(OiPr)2 [R1 = t-Bu，R2 = Me，R3 = H (1b)；R1 = R2 = t-Bu，R3 = H，(2b)；R1 = R2 = Cl, R3 = H, (3b), R1 = t-Bu, R2 = Me, R3 = Cl (4b); R1 = R2 = t-Bu, R3 = Cl, (5b); R1 = R2 = R3 = Cl, (6b)] 已被设计为乙烯聚合的前催化剂。具体来说，当 1bâ6b 复合物与甲基铝氧烷（MAO）在 88 ± 0.5 psi 的乙烯条件下于 30 °C 处理 3 小时后，可生成具有宽分子量分布（PDI = 约 13.1â14.6）的高分子量聚乙烯聚合物（Mw = 约 7.2â8.3 à 105 g molâ1）。1bâ6b配合物是由[N2O2]H2配体1aâ6a与Ti(OiPr)4直接反应合成的，产率为69.86%。