boric acid-(1,1,3,3-tetramethyl-propanediyl ester) | 104562-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: boric acid-(1,1,3,3-tetramethyl-propanediyl ester)
• 英文别名: Borsaeure-(1,1,3,3-tetramethyl-propandiylester)；4,4,6,6-Tetramethyl-[1,3,2]dioxaborinan-2-ol；Borsaeure-(α.α.α'.α'-tetramethyl-trimethylenester)；2.4-Dimethyl-pentandiol-(2.4)-borsaeure；2-Hydroxy-4,4,6,6-tetramethyl-1,3,2-dioxaborinane
• CAS: 104562-46-1
• 化学式: C₇H₁₅BO₃
• 分子量: 158.005
• InChiKey: LDIBTOMVZDXKJI-UHFFFAOYSA-N

物化性质

• 沸点：
  167.6±23.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  boric acid-(1,1,3,3-tetramethyl-propanediyl ester) 、 二苯基二羟基硅烷 以 甲苯 为溶剂， 以78.4%的产率得到Diphenyl-bis[(4,4,6,6-tetramethyl-1,3,2-dioxaborinan-2-yl)oxy]silane
  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
• 作为产物：
  描述：

  2,4-dimethyl-2,4-pentanediol 在 硼酸 作用下， 生成 boric acid-(1,1,3,3-tetramethyl-propanediyl ester)
  参考文献：
  名称：

  Hermans, Zeitschrift fur Anorganische und Allgemeine Chemie, 1925, vol. 142, p. 87,107

  摘要：

  DOI：