Propan-2-olate;1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-olate;titanium(4+) | 1444240-77-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Propan-2-olate;1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-olate;titanium(4+)
• CAS: 1444240-77-0
• 化学式: C₈₁H₅₈N₆O₄Ti
• 分子量: 1227.27
• InChiKey: QURAJHARXAKMDF-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  17.39
• 重原子数：
  92
• 可旋转键数：
  9
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  titanium(IV) isopropylate 、 (s)-2-(2-Pyridinylmethyleneamino)-2'-hydroxy-1,1'-binaphthyl 以 甲苯 为溶剂， 反应 24.0h， 以74%的产率得到Propan-2-olate;1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-olate;titanium(4+)
  参考文献：
  名称：

  Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands

  摘要：

  A series of chiral organo-titanium complexes have been prepared from the reaction between Ti((OPr)-Pr-i)(4) and chiral biaryl Schiff-base ligands 1H(2)-12H. The steric demand of the ligand plays an important role in the formation of the titanium complexes. For example, treatment of ligand 1H(2) with 1 equiv of Ti((OPr)-Pr-i)(4) in toluene at room temperature gives, after recrystallization from a toluene solution, the chiral bis-ligated titanium complex (L1)(2)Ti (14). While under similar reaction conditions, the more bulky ligands 2H(2), 4H(2), and 6H(2) form the mono-ligated titanium complexes (L2)Ti((OPr)-Pr-i)(2) (15), (L4)Ti((OPr)-Pr-i)(2)(19), and (L6)Ti((OPr)-Pr-i)(2) (22), respectively, in good yields. The mono-ligated titanium alkoxides can be converted to bis-ligated complex via ligand redistribution reaction. For one instance, treatment of mono-ligated complex (L2)Ti((OPr)-Pr-i)(2) (15) in benzene at 60 degrees C results in the isolation of the bis-ligated complex (L2)(2)Ti (16) in 92% yield. All titanium complexes have been characterized by various spectroscopic techniques and elemental analyses. The solid-state structures of complexes 14-21, 23, 24 and 29 have further been confirmed by X-ray diffraction analyses. The titanium complexes are active catalysts for the asymmetric hydrophosphonylation of aromatic aldehydes with moderate enantioselectivities. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.04.008