cyclo-1-mesityl-3,3,7,7-tetraphenyl-1-bora-3,5-disiloxane | 144648-00-0

• 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: cyclo-1-mesityl-3,3,7,7-tetraphenyl-1-bora-3,5-disiloxane
• CAS: 144648-00-0
• 化学式: C₃₃H₃₁BO₃Si₂
• 分子量: 542.589
• InChiKey: FLAXHFLHQWCGRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  39.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 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：

  1,1,3,3-四苯基-1,3-二硅氧烷二醇 、 2,4,6-三甲基苯硼酸 以 苯 为溶剂， 以86%的产率得到cyclo-1-mesityl-3,3,7,7-tetraphenyl-1-bora-3,5-disiloxane
  参考文献：
  名称：

  Synthesis and structural characterization of cycloborasiloxanes: The X-ray crystal structures of cyclo-1,3,3,5,5-pentaphenyl-1-bora-3,5-disiloxane and cyclo-1,3,3,5,7,7-hexaphenyl-1,5-dibora-3,7-disiloxane

  摘要：

  Cycloborasiloxanes [PhB(OSiPh2)O]2 (1) and RB[(OSiPh2)2)O] [R = Ph (2); 2,4,6-Me3C6H2 (3)] containing eight- and six-membered rings, respectively, have been synthesized by the reaction of RB(OH)2 with 1,1,3,3-tetraphenyl-1-3-dihydroxy-1,3-disiloxane or diphenylsilanediol. The structures of 1 and 2 have been determined, and both contain essentially planar Si-O-B rings, although the Si-O and B-O bonds are shorter in the larger ring. The factors affecting the structural parameters of related heterocyclic ring systems are reviewed.

  DOI：

  10.1016/0022-328x(92)85022-o