[(tert-butoxy)2Ti(μ-O2Si(OSi(tert-butoxy)3)2)]2 | 866916-53-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [(tert-butoxy)2Ti(μ-O2Si(OSi(tert-butoxy)3)2)]2
• CAS: 866916-53-2
• 化学式: C₆₄H₁₄₄O₂₄Si₆Ti₂
• 分子量: 1562.11
• InChiKey: IZOSWCKJZQQSKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 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：

  [(tert-butoxy)2Ti(μ-O2Si(OSi(tert-butoxy)3)2)]2 以 甲苯 为溶剂， 以33.3%的产率得到
  参考文献：
  名称：

  A dimeric molecular precursor [(tBuO)2Ti{μ-O2Si[OSi(OtBu)3]2}]2 to Ti(IV)/SiO2 catalysts for selective cyclohexene epoxidation

  摘要：

  The new dimeric complex [((BUO)-B-t)(2)Ti{mu-O2Si[OSi((OBu)-Bu-t)(3)](2)}]2 (1), prepared via silanolysis of Ti((OBu)-Bu-t)(4) with (HO)(2)Si[OSi((OBu)-Bu-t)(3)](2), is a structural and spectroscopic (NMR, FT-IR, UV-vis, XPS) model for Ti(IV)/SiO2. The molecular complex was used to prepare titanium-containing silica materials through both the thermolytic molecular precursor method (yielding TiO2 center dot 3SiO(2)) or by grafting 1 onto mesoporous SBA-15 silica. Grafting 1 onto SBA-15 yields mostly isolated Ti(IV) sites, as evidenced by DRUV-vis and photoluminescence spectroscopies. The resulting materials were found to be active and highly selective in the epoxidation of cyclohexene, yielding up to 71% of cyclohexene oxide based on oxidant (cumene hydroperoxide) after 2 h at 65 degrees C in toluene. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2005.04.032
• 作为产物：
  描述：

  titanium(IV) tetrabutoxide 、 trisilicic acid 1,1,1,3,3,3-hexa-tert-butyl ester 以 正戊烷 为溶剂， 以73%的产率得到[(tert-butoxy)2Ti(μ-O2Si(OSi(tert-butoxy)3)2)]2
  参考文献：
  名称：

  A dimeric molecular precursor [(tBuO)2Ti{μ-O2Si[OSi(OtBu)3]2}]2 to Ti(IV)/SiO2 catalysts for selective cyclohexene epoxidation

  摘要：

  The new dimeric complex [((BUO)-B-t)(2)Ti{mu-O2Si[OSi((OBu)-Bu-t)(3)](2)}]2 (1), prepared via silanolysis of Ti((OBu)-Bu-t)(4) with (HO)(2)Si[OSi((OBu)-Bu-t)(3)](2), is a structural and spectroscopic (NMR, FT-IR, UV-vis, XPS) model for Ti(IV)/SiO2. The molecular complex was used to prepare titanium-containing silica materials through both the thermolytic molecular precursor method (yielding TiO2 center dot 3SiO(2)) or by grafting 1 onto mesoporous SBA-15 silica. Grafting 1 onto SBA-15 yields mostly isolated Ti(IV) sites, as evidenced by DRUV-vis and photoluminescence spectroscopies. The resulting materials were found to be active and highly selective in the epoxidation of cyclohexene, yielding up to 71% of cyclohexene oxide based on oxidant (cumene hydroperoxide) after 2 h at 65 degrees C in toluene. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2005.04.032