2,3-dimethylbutane-2,3-diolate;3-hydroxy-2,3-dimethylbutan-2-olate;propan-2-olate;titanium(4+) | 259191-35-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3-dimethylbutane-2,3-diolate;3-hydroxy-2,3-dimethylbutan-2-olate;propan-2-olate;titanium(4+)
• CAS: 259191-35-0
• 化学式: C₃H₇O*C₆H₁₂O₂*C₆H₁₃O₂*Ti
• 分子量: 340.296
• InChiKey: BFNBHMQCQDQWMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.09
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ce₂(OiPr)₈(HOⁱPr)₂ 、 2,3-dimethylbutane-2,3-diolate;3-hydroxy-2,3-dimethylbutan-2-olate;propan-2-olate;titanium(4+) 以 甲苯 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Formation of mixed-metal alkoxides mediated by the reactivity of coordinated pinacol

  摘要：

  The addition of pinacol to mixtures of titanium and cerium isopropoxides as well as the use of insoluble titanium and cerium pinacolate synthons was investigated as a route to M-Ce (M=Ti, Nb) species. Pinacol was able to promote the formation of mixed-metal species and the first Ce-Ti and Ce-Nb species namely Ce-2Ti(pin)(2)(OPri)(8) and [M2Ce2(mu(3)-O)(2)(mu,eta(2)pin)(4)(OPri)(6)H-x] [M = Ti, x = 2; M = Nb, x = 0; pin = OCMe2-COMe2] were isolated and characterized by FT-IR and H-1 NMR. The latter were also characterized by X-Ray diffraction. Their structures are based on a rhombus compressed along the M...M direction with 6-coordinated metals. The pinacolate moieties act as bridging-chelating ligands. The metal-oxygen bond lengths vary according to M-O(pin)

  DOI：

  10.1016/s0277-5387(99)00281-8
• 作为产物：
  描述：

  titanium(IV) isopropylate 、 频哪醇 以 甲苯 为溶剂， 以90%的产率得到2,3-dimethylbutane-2,3-diolate;3-hydroxy-2,3-dimethylbutan-2-olate;propan-2-olate;titanium(4+)
  参考文献：
  名称：

  Formation of mixed-metal alkoxides mediated by the reactivity of coordinated pinacol

  摘要：

  The addition of pinacol to mixtures of titanium and cerium isopropoxides as well as the use of insoluble titanium and cerium pinacolate synthons was investigated as a route to M-Ce (M=Ti, Nb) species. Pinacol was able to promote the formation of mixed-metal species and the first Ce-Ti and Ce-Nb species namely Ce-2Ti(pin)(2)(OPri)(8) and [M2Ce2(mu(3)-O)(2)(mu,eta(2)pin)(4)(OPri)(6)H-x] [M = Ti, x = 2; M = Nb, x = 0; pin = OCMe2-COMe2] were isolated and characterized by FT-IR and H-1 NMR. The latter were also characterized by X-Ray diffraction. Their structures are based on a rhombus compressed along the M...M direction with 6-coordinated metals. The pinacolate moieties act as bridging-chelating ligands. The metal-oxygen bond lengths vary according to M-O(pin)

  DOI：

  10.1016/s0277-5387(99)00281-8