3-(3-cyanopropyl)dimethylsilyldipropargyl ether | 1574657-41-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 3-(3-cyanopropyl)dimethylsilyldipropargyl ether
• CAS: 1574657-41-2
• 化学式: C₁₂H₁₇NOSi
• 分子量: 219.359
• InChiKey: XWMAGUGXKSUEOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  15.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  33.02
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-(3-cyanopropyl)dimethylsilyldipropargyl ether 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Synthesis of Substituted [8]Cycloparaphenylenes by [2 + 2 + 2] Cycloaddition

  摘要：

  A new modular approach to the smallest substituted cycloparaphenylenes (CPPs) is presented. This versatile method permits access to substituted CPPs, choosing the substituent at a late stage of the synthesis. Variously substituted [8]CPPs have been synthesized, and their properties analyzed. The structural characteristics of substituted CPPs are close to those of unsubstituted CPPs. However, their optoelectronic behavior differs remarkably due to the larger torsion angle between the phenyl units.

  DOI：

  10.1021/ol500194s
• 作为产物：
  描述：

  丙炔醚 、 (3-氰基丙基)二甲基氯硅烷 在 正丁基锂 、 六甲基二硅氮烷 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.0h， 以77%的产率得到3-(3-cyanopropyl)dimethylsilyldipropargyl ether
  参考文献：
  名称：

  Synthesis of Substituted [8]Cycloparaphenylenes by [2 + 2 + 2] Cycloaddition

  摘要：

  A new modular approach to the smallest substituted cycloparaphenylenes (CPPs) is presented. This versatile method permits access to substituted CPPs, choosing the substituent at a late stage of the synthesis. Variously substituted [8]CPPs have been synthesized, and their properties analyzed. The structural characteristics of substituted CPPs are close to those of unsubstituted CPPs. However, their optoelectronic behavior differs remarkably due to the larger torsion angle between the phenyl units.

  DOI：

  10.1021/ol500194s