| 1174684-82-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• CAS: 1174684-82-2
• 化学式: C₁₀H₁₅BrO₃
• 分子量: 263.131
• InChiKey: MADPDDIBPDAWPK-VMPITWQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  14.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Constructing the architecturally distinctive ABD-tricycle of phomactin A through an intramolecular oxa-[3+3] annulation strategy

  摘要：

  Our efforts in constructing the ABD-ring of phomactin A through an intramolecular oxa-[3+3] annulation strategy is described. This struggle entailed finding a practical and efficient preparation of annulation precursor, and a realization of the unexpected competing regioisomeric pathway. The success entailed accessing the A-ring through Diels Alder cycloaddition of Rawal's diene. Furthermore, the discovery that the regioisomers from the annulation existed as atropisomers with respect to the D-ring olefin and that they could be equilibrated to the desired ABD-tricycle, allowing large quantities of tricycle to be accessed. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2011.09.111
• 作为产物：
  描述：

  2,4-二溴-2-丁烯 、 乙酰乙酸乙酯 在 sodium hydride 、 正丁基锂 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Constructing the architecturally distinctive ABD-tricycle of phomactin A through an intramolecular oxa-[3+3] annulation strategy

  摘要：

  Our efforts in constructing the ABD-ring of phomactin A through an intramolecular oxa-[3+3] annulation strategy is described. This struggle entailed finding a practical and efficient preparation of annulation precursor, and a realization of the unexpected competing regioisomeric pathway. The success entailed accessing the A-ring through Diels Alder cycloaddition of Rawal's diene. Furthermore, the discovery that the regioisomers from the annulation existed as atropisomers with respect to the D-ring olefin and that they could be equilibrated to the desired ABD-tricycle, allowing large quantities of tricycle to be accessed. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2011.09.111