3-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-phenol | 765908-41-6

• 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: 3-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-phenol
• 英文别名: 3-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenol
• CAS: 765908-41-6
• 化学式: C₁₈H₂₁BO₄
• 分子量: 312.173
• InChiKey: ZIABWSMQPXKQIB-UHFFFAOYSA-N

物化性质

• 沸点：
  450.2±30.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-phenol 、 [3-(3-Phenylmethoxyphenoxy)phenyl]boronic acid 在 copper diacetate 、 三乙胺 作用下， 以50%的产率得到2-(3-{3-[3-(3-Benzyloxy-phenoxy)-phenoxy]-phenoxy}-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
  参考文献：
  名称：

  Deprotection of pinacolyl boronate esters by transesterification with polystyrene–boronic acid

  摘要：

  Mild deprotection of pinacolyl boronate esters to the corresponding boronic acids was achieved in the presence of excess polystyrene-boronic acid via a transesterification process. The procedure allows for the cleavage of pinacolyl boronate esters in the presence of sensitive functional groups. Crown Copyright (C) 2004 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.014
• 作为产物：
  描述：

  3-(苄氧基)苯硼酸频那醇酯 在 palladium on activated charcoal 盐酸 、 copper diacetate 、 polystyrene boronic acid 、 氢气 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 3-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-phenol
  参考文献：
  名称：

  Deprotection of pinacolyl boronate esters by transesterification with polystyrene–boronic acid

  摘要：

  Mild deprotection of pinacolyl boronate esters to the corresponding boronic acids was achieved in the presence of excess polystyrene-boronic acid via a transesterification process. The procedure allows for the cleavage of pinacolyl boronate esters in the presence of sensitive functional groups. Crown Copyright (C) 2004 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.014