[Diphenyl-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane | 255849-52-6

• 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: [Diphenyl-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane
• CAS: 255849-52-6
• 化学式: C₆₀H₆₄B₂O₉Si₄
• 分子量: 1063.13
• InChiKey: HTTGASAAOKIUOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.27
• 重原子数：
  75
• 可旋转键数：
  18
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  83.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-甲基-2,4-戊二醇 、 1,1,3,3,5,5,7,7-octaphenyl-1,3,5,7-tetrasiloxane-1,7-diol 、 硼酸 以 not given 为溶剂， 以65.3%的产率得到[Diphenyl-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane
  参考文献：
  名称：

  Compounds containing B–O–X bonds (X=Si, Ge, Sn, Pb)

  摘要：

  Twelve borosilicates with the general formula O-Y-O-B-O-(SiPh2O)(n)-Br-O-Y-O (where n = 1, 2, 3 or 4; Y = one of the organic groups CMe2CMe2, CMe2CH2CHMe, CMe2CH2CMe2 or CHPr'CMe2CH2) were prepared. Three synthetic routes were investigated, including a one-pot self-assembly reaction of two equivalents each of boric acid, silanediol and organic diol. The probable sequence for this reaction is discussed. The borosilicates were either solids or viscous liquids and were colourless. They formed cyclosiloxane species when thermally decomposed or reacted with either water or potassium trimethylsilanolate. They were unreactive to triethylamine, di-iso-propylamine, pyridine or ethylenediamine. The di-tert-butyl species (O-CMe2CH2CHMe-O-B-O)(2)SiBu2t was prepared and structurally characterised using X-ray techniques. The parameters associated with the B-O-Si bonds were a B-O-Si angle of 141.5(2)degrees and B-O and Si-O distances of 1.360(4) and 1.625(2) Angstrom, respectively. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00235-1