| 244005-02-5

• 分子结构分类: 有机化合物
• CAS: 244005-02-5
• 化学式: C₂₈H₄₄N₂O₄Ti
• 分子量: 520.548
• InChiKey: WWIGTCOUYISHQP-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  n-propylamino-N,N-bis(2-methylene-4,6-di-tert-butylphenol) 、 、 正戊烷 以 甲苯 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Coordination Chemistry of Amine Bis(phenolate) Titanium Complexes:  Tuning Complex Type and Structure by Ligand Modification

  摘要：

  The coordination chemistry of titanium(IV) complexes of amine bis(phenolate) ligands was investigated by synthesizing various types of complexes and analyzing them specroscopically and structurally. Steric effects of tridentate [ONO]- and tetradentate [ONNO]-type ligands were studied by reacting the ligand precursors with titanium tetra(isopropoxide). [ONNO]-type ligands featuring an amine donor located on a pendant arm led to octahedral bis(isopropoxide) complexes, regardless of the steric bulk around the metal. Several such complexes having varying steric crowding were thus synthesized. On the other hand, steric effects were found to play a major role in determining the complex constitution when [ONO]-type ligands, featuring no side donor, were involved. Relatively sterically undemanding ligands led to octahedral bis(homoleptic) complexes, whereas increased steric bulk resulted in the formation of pentacoordinate bis(isopropoxide) complexes. These pentacoordinate complexes readily lead to bis(heteroleptic) complexes by reaction with nonsterically demanding [ONO]- and [ONNO]-type ligand precursors. In the latter case the sidearm nitrogen remains uncoordinated to the metal. The bis(isopropoxide) complexes of the [ONNO]-type ligands may also lead to bis(heteroleptic) complexes, however, these reactions are much slower.

  DOI：

  10.1021/ic010210s
• 作为产物：
  描述：

  titanium(IV) isopropylate 、 N,N-bis(3,4-dimethyl-2-hydroxybenzyl)-N',N'-dimethylethylenediamine 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  支链二胺双（苯酚）配体的 TiIV 复合物：水解和细胞毒性

  摘要：

  合成了六种支链二胺双（苯酚）配体的 TiIV 配合物，这些配合物具有一个带有不同芳香族和 N-取代基的悬垂供体侧臂，并研究了它们的水解稳定性和细胞毒性，作为与高活性和稳定的 Salan TiIV 配合物密切相关的类似物 [salan = N,N'-双（邻羟基苄基）-1,2-二氨基乙烷]。尽管 Cs 对称配合物包括侧臂 N 供体与金属的结合，如晶体学分析，因此使它们在配位特征上与 C2 对称 Salan 配合物高度相似，但它们表现出较差的水解稳定性，可能是由于在侧臂在溶液中的结合。N-甲基化和 N-乙基化的烷基芳族取代基复合物，具有不同的空间限制，表现出较差的细胞毒性。相比之下，

  DOI：

  10.1002/ejic.201100725