2,2'-(prop-1-ene-1,3-diyl)bis(1,3,2-dioxaborolane) | 1351488-29-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: 2,2'-(prop-1-ene-1,3-diyl)bis(1,3,2-dioxaborolane)
• CAS: 1351488-29-3
• 化学式: C₇H₁₂B₂O₄
• 分子量: 181.792
• InChiKey: LBSUQUSPQSXLBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  220.9±50.0 °C(predicted)
• 密度：
  1.07±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.15
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,2'-(prop-1-ene-1,3-diyl)bis(1,3,2-dioxaborolane) 、 5-[(2-Methyl-1,3-dioxolan-2-yl)methyl]-4-(2-oxoethyl)furan-3-carbaldehyde 以 乙醚 为溶剂， 反应 28.0h， 以10.1 mg的产率得到1-((2-methyl-1,3-dioxolan-2-yl)methyl)-4,5,8,9-tetrahydrocycloocta[c]furan-4,8-diol
  参考文献：
  名称：

  Efficient and straightforward preparation of a building block for (−)-teubrevin G synthesis via chemically diversed oriented synthesis

  摘要：

  A rapid and efficient methodology to highly functionalised molecular units well suited as scaffolds for diversity-oriented molecular construction in the synthesis of natural products is reported herein. A key macrocyclic intermediate in the synthesis of the neo-clerodane diterpene (-)-teubrevin G was successfully synthesized in a 5-step sequence in a 70% overall yield using a novel intramolecular coupling between an allylborating agent and a 1,5-dialdehyde moiety. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.112
• 作为产物：
  描述：

  B-allenyl-1,3,2-dioxaborolane 、 [1,3,2]dioxaborolane 以 乙醚 为溶剂， 生成 2,2'-(prop-1-ene-1,3-diyl)bis(1,3,2-dioxaborolane)
  参考文献：
  名称：

  Efficient and straightforward preparation of a building block for (−)-teubrevin G synthesis via chemically diversed oriented synthesis

  摘要：

  A rapid and efficient methodology to highly functionalised molecular units well suited as scaffolds for diversity-oriented molecular construction in the synthesis of natural products is reported herein. A key macrocyclic intermediate in the synthesis of the neo-clerodane diterpene (-)-teubrevin G was successfully synthesized in a 5-step sequence in a 70% overall yield using a novel intramolecular coupling between an allylborating agent and a 1,5-dialdehyde moiety. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.112