6,6'-({[(1S)-1-phenylethyl]imino}dimethanediyl)bis(2,4-di(tert-butyl)phenol) | 1338361-72-0

• 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: 6,6'-({[(1S)-1-phenylethyl]imino}dimethanediyl)bis(2,4-di(tert-butyl)phenol)
• 英文别名: 2,2'-([[(1S)-1-phenylethyl]imino]dimethanediyl)bis(2,4-di-tert-butylphenol)
• CAS: 1338361-72-0
• 化学式: C₃₈H₅₅NO₂
• 分子量: 557.86
• InChiKey: LBKVSSWVYFIIFD-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.05
• 重原子数：
  41.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  43.7
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  6,6'-({[(1S)-1-phenylethyl]imino}dimethanediyl)bis(2,4-di(tert-butyl)phenol) 、 diethylzinc 以 正己烷 为溶剂， 以77%的产率得到(2,2'-([[(1S)-1-phenylethyl]imino]dimethanediyl)bis(2,4-di-tert-butylphenolato))(κN,(μ-O)2(ethylzinc)(μ-O)2(ethylzinc))
  参考文献：
  名称：

  Zinc complexes of chiral ligands obtained from methylbenzylamine

  摘要：

  Condensation of S-methylbenzylamine with 2 equiv. of 2,4-tert-butylphenol yielded the chiral tridentate ligand 2H(2), which formed the dimetallic complex (2)(k-N,(mu-O)(2)ZnEt)((mu-O)(2)ZnEt), 3. upon reaction with ZnEt2. Reaction of the chiral Schiff base ligand, 4H, obtained from condensation of salicylaldehyde and S-methylbenzylamine, with ZnEt2 yielded (4)(2)Zn, 5, or (4)ZnEt, 6, respectively. Deprotonation of 4H with NaH afforded tetrameric {(4)Na}(4), 7. Complexes 3, 5 and 7 were characterized by single crystal diffraction studies and tested as initiators in the polymerization of rac-lactide. Complexes 3 and 5 showed only low to moderate activity. All complexes yielded essentially atactic polymers with minor contents of heterotactic enchainment. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.07.018
• 作为产物：
  描述：

  聚合甲醛 、 2,4-二叔丁基苯酚 、 (S)-(-)- α-甲基苄胺 以 水 为溶剂， 反应 18.0h， 生成 6,6'-({[(1S)-1-phenylethyl]imino}dimethanediyl)bis(2,4-di(tert-butyl)phenol)
  参考文献：
  名称：

  Zinc complexes of chiral ligands obtained from methylbenzylamine

  摘要：

  Condensation of S-methylbenzylamine with 2 equiv. of 2,4-tert-butylphenol yielded the chiral tridentate ligand 2H(2), which formed the dimetallic complex (2)(k-N,(mu-O)(2)ZnEt)((mu-O)(2)ZnEt), 3. upon reaction with ZnEt2. Reaction of the chiral Schiff base ligand, 4H, obtained from condensation of salicylaldehyde and S-methylbenzylamine, with ZnEt2 yielded (4)(2)Zn, 5, or (4)ZnEt, 6, respectively. Deprotonation of 4H with NaH afforded tetrameric {(4)Na}(4), 7. Complexes 3, 5 and 7 were characterized by single crystal diffraction studies and tested as initiators in the polymerization of rac-lactide. Complexes 3 and 5 showed only low to moderate activity. All complexes yielded essentially atactic polymers with minor contents of heterotactic enchainment. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.07.018