| 1101084-00-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1101084-00-7
• 化学式: C₁₆H₂₂O₄Si
• 分子量: 306.434
• InChiKey: FZBSIVYRRMUZFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 、 potassium fluoride 、 氯化铵 作用下， 以 甲醇 为溶剂， 以79%的产率得到1-(2-ethynyl-3,4,5-trimethoxyphenyl)ethan-1-ol
  参考文献：
  名称：

  A [2 + 2 + 2]-Cycloaddition Approach toward 6-Oxa-allocolchicinoids with Apoptosis-Inducing Activity

  摘要：

  Following an A -> ABC strategy, a new synthesis of 6-oxa-allocolchicinoids was developed exploiting a microwave-promoted Co- or Rh-catalyzed intramolecular [2 + 2 + 2]-cycloaddition (alkyne cyclotrimerization) as a key step. The approach opens a short and efficient access to a variety of novel compounds, some of which were found to exhibit significant and selective apoptosis-inclucing activities against BJAB tumor cells.

  DOI：

  10.1021/ol802542c
• 作为产物：
  描述：

  2'-Iodo-3',4',5'-trimethoxyacetophenone 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 3.5h， 以85%的产率得到
  参考文献：
  名称：

  A [2 + 2 + 2]-Cycloaddition Approach toward 6-Oxa-allocolchicinoids with Apoptosis-Inducing Activity

  摘要：

  Following an A -> ABC strategy, a new synthesis of 6-oxa-allocolchicinoids was developed exploiting a microwave-promoted Co- or Rh-catalyzed intramolecular [2 + 2 + 2]-cycloaddition (alkyne cyclotrimerization) as a key step. The approach opens a short and efficient access to a variety of novel compounds, some of which were found to exhibit significant and selective apoptosis-inclucing activities against BJAB tumor cells.

  DOI：

  10.1021/ol802542c