2,2-di-tert-butyl-4,6-dimesityl-1,3,5-trioxa-2-stannadiborinane | 146645-27-4

• 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: 2,2-di-tert-butyl-4,6-dimesityl-1,3,5-trioxa-2-stannadiborinane
• CAS: 146645-27-4
• 化学式: C₂₆H₄₀B₂O₃Sn
• 分子量: 540.934
• InChiKey: YGJKLUSWJTZJEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  32.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  cyclo-(t-Bu2SnO)3 、 2,4,6-三甲基苯硼酸 以 苯 为溶剂， 生成 2,2-di-tert-butyl-4,6-dimesityl-1,3,5-trioxa-2-stannadiborinane
  参考文献：
  名称：

  Sterically hindered organotin compounds. Part 3. The reaction between di-tert-butyltin oxide and organoboronic acids

  摘要：

  The reaction between (But2SnO)3 and BR(OH), [R = Ph or 2,4,6-Me3C6H2 (mes)] has been investigated and found to yield two classes of product. The first is a boron-rich species, cyclo-But2SnO(RBO)2, which exists alongside its acyclic hydrolysis product SnBut2[OB(OH)R]2. The second product, which is tin-rich, SnBut2(OH)2[(But2SnO)2OBR]2, can be formulated as cyclo-RBO(But2SnO)2 chelated across one Sn-O-Sn unit by a molecule of SnBut2(OH)2. The crystal and molecular structures of SnBut2[OB(OH)Ph]2 and SnBut2(OH)2[(But2SnO)2OBC6H2Me3-2,4,6]2.2MeCN have been determined.

  DOI：

  10.1039/dt9920003503