titanium tris(2,4,6-trimethylphenylphenoxide)chloride | 104302-46-7

• 英文名称: titanium tris(2,4,6-trimethylphenylphenoxide)chloride
• 英文别名: [TiCl(2,4,6-trimethylphenolate)3]
• CAS: 104302-46-7
• 化学式: C₂₇H₃₃ClO₃Ti
• 分子量: 488.89
• InChiKey: AIZYWLCTWZRIGM-UHFFFAOYSA-J

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：

  titanium tris(2,4,6-trimethylphenylphenoxide)chloride 在 pyridine 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Syntheses, characterization and adduct formation of chloride-2,4,6-trimethylphenoxide derivatives of titanium and zirconium

  摘要：

  DOI：

  10.1016/s0277-5387(00)83473-7
• 作为产物：
  描述：

  2,4,6-三甲酚 、 四氯化钛 以 苯 为溶剂， 生成 titanium tris(2,4,6-trimethylphenylphenoxide)chloride
  参考文献：
  名称：

  Syntheses, characterization and adduct formation of chloride-2,4,6-trimethylphenoxide derivatives of titanium and zirconium

  摘要：

  DOI：

  10.1016/s0277-5387(00)83473-7

文献信息

• Molecular engineering of coordination pockets in chloro-tris-phenoxo complexes of titanium(IV)
  作者：Alastair J. Nielson、Chaohong Shen、Joyce M. Waters

  DOI：10.1016/j.poly.2005.12.027

  日期：2006.7

  The chloro-tris-phenoxo complexes [TiCl(OAr)(3)] (OAr = OC6H4CMe-(3)-4 (1). OC6H2Me3-2A (2). OC6H2Me3-2,4,6 (4), OC6H3(CHMe2)(2)-2,6 (5), OC6H3(CMe3)(2)-2,4 (6) and OC6H4Ph-2 (8) are prepared by heating 3 equivalents of the phenol and [TiCl4] in toluene. X-ray crystal structure determinations show that 2 is a phenoxy-bridged dimer with the ortho-methyl groups making the beginning of a pocket about the terminal chloro ligand and 6 is a tetrahedral monomer in which the pocket is more well developed by the ortho-tert-butyl groups. Both 2 and 6 react with dmbipy to give [TiCl(OAr)(3)(dmbipy)] [OAr = OC6H3Me2-2,4 (3) and OC6H3(CMe3)2-2,4 (7)] in which the original pocket is destroyed. Reaction of TiCl4 with 3 equivalents of LiOC6H4Ph-2 in diethyl ether gives [TiCl(OC6H4Ph-2)(3)(diethyl ether)] (9) for which an X-ray crystal structure determination shows a trigonal bipyramidal coordination geometry with the diethyl ether lying trans to the chloro ligand. The three phenoxide ligands make up the equatorial plane which takes the 2-phenyl substituent on each phenoxo ligand away from the chloro ligand resulting in a partially collapsed cavity. The tied-back analogues of 2 and 6, [TiClOC6H2Me2-2,4-CH2-6)(3)N)] (11) and [TiCl(OC6H2(CMe3)(2)-2,4-CH2-6}(3)N)] (.) diethyl ether (12), are prepared by adding (HOArCH2)(3)N [Ar = C6HMe2-2,4 and C6H2(CMe3)(2) 2.4] to [TiCl(OCHMe2)(3)] in diethyl ether. An X-ray crystal structure of 12 showed a trigonal bipyramidal structure with a coordination environment about the terminal chloro ligand similar to that found in 6. Complex 12 reacts with pyridine to form the 6-coordinate complex [TiClOC6H2(CMe3)(2)-2,4-CH2-6)(3)N)(py)] (13). (c) 2006 Elsevier Ltd. All rights reserved.