trichloro(2-methoxyethanol)(2-propoxo)titanium(IV) | 221909-39-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trichloro(2-methoxyethanol)(2-propoxo)titanium(IV)
• 英文别名: 2-methoxyethanol;propan-2-olate;trichlorotitanium(1+)
• CAS: 221909-39-3
• 化学式: C₆H₁₅Cl₃O₃Ti
• 分子量: 289.422
• InChiKey: SFAGYKPAUIOSPZ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  乙二醇甲醚 、 以 苯 为溶剂， 以84.4%的产率得到trichloro(2-methoxyethanol)(2-propoxo)titanium(IV)
  参考文献：
  名称：

  Reactions of Ti(O-i-Pr)Cl3 with bidentate ligands containing hydroxy and methoxy groups.

  摘要：

  Ti(O-i-Pr)Cl-3 reacts with 2-methoxyethanol in C6H6, with 2-methoxyethanol in the presence of NEt3 in CH2Cl2 or in THF or with 1,2-dimethoxyethane to give Ti(O-i-Pr)Cl-3(HOCH2CH2OCH3) (1), [Ti(O-i-Pr)Cl-3(OCH2CH2OCH3)](-)(HNEt3+) (2), Ti(O-i-Pr)Cl-2(OCH2CH2OCH3)(THF) (3), and Ti(O-i-Pr)Cl-3(CH3OCH2CH2OCH3) (4. The H-1 variable-temperature NMR study of 1 suggests the presence of several species in solution and the likely structures of these species are discussed. The H-1 VT NMR study and the line-shape calculations on 4 suggest a bond-rupture exchange process through dissociation of the methoxy donors trans to the 2-propoxy to give a trigonal bipyramidal intermediate followed with re-attachment of the dangling methoxy. The solid state structure of 1 with the hydroxy donor trans to the 2-propoxide group suggests a relative bonding order of ROR' > ROH. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00348-x