[(2,6-i-Pr2C6H3)N(SiMe3)(SiO3)Ti(OEt)]4 | 174748-89-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2,6-i-Pr2C6H3)N(SiMe3)(SiO3)Ti(OEt)]4
• 英文别名: [(2,6-(i)Pr2C6H3)N(SiMe3)SiO3Ti(OEt)]4；2,6-di(propan-2-yl)-N-trimethylsilyl-N-trioxidosilylaniline;ethanolate;titanium(4+)
• CAS: 174748-89-1
• 化学式: C₆₈H₁₂₄N₄O₁₆Si₈Ti₄
• 分子量: 1669.95
• InChiKey: CXPNFNGFCFPYMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.75
• 重原子数：
  100.0
• 可旋转键数：
  28.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  160.64
• 氢给体数：
  0.0
• 氢受体数：
  20.0

反应信息

• 作为产物：
  描述：

  titanium(IV) tetraethanolate 、 (2,6-iPr2C6H3)N(SiMe3)Si(OH)3 以 正己烷 为溶剂， 以92%的产率得到[(2,6-i-Pr2C6H3)N(SiMe3)(SiO3)Ti(OEt)]4
  参考文献：
  名称：

  Facile and Rational Route for High-Yield Synthesis of Titanasiloxanes from Aminosilanetriols

  摘要：

  Reactions of aminosilanetriols RN(SiMe(3))(Si(OH)(3)) (R = 2,6-Me(2)C(6)H(3) (1a), 2,6-i-Pr2C6H3 (1b), 2,4,6-Me(3)C(6)H(2) (1c)) with titanium orthoesters Ti(OR')(4) (R' = Et, i-Pr) in hexane at room temperature afford new cubic titanasiloxanes [RN(SiMe(3))SiO3Ti(OR')](4) (2a-f) in nearly quantitative yield. These compounds have been characterized by mass, IR, and multinuclear NMR spectroscopy. The X-ray crystal structure of [(2,6-i-Pr2C6H3)N(SiMe(3))SiO3Ti(OEt)](4) (2c) is described. The molecular structure of 2c reveals a Si4Ti4O12 cubic core. The six Si-O-Ti puckered eight-membered rings in the cubic framework adopt a crown conformation with the two Si and two Ti atoms describing a plane and the four oxygen atoms in an almost parallel plane.

  DOI：

  10.1021/om950816m