1-((6-chlorohexyl)oxy)-4-ethynylbenzene | 1453475-47-2

• 英文名称: 1-((6-chlorohexyl)oxy)-4-ethynylbenzene
• CAS: 1453475-47-2
• 化学式: C₁₄H₁₇ClO
• 分子量: 236.741
• InChiKey: XLWLDOKQLUIADZ-UHFFFAOYSA-N

物化性质

• 沸点：
  344.2±27.0 °C(predicted)
• 密度：
  1.05±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  16.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-((6-chlorohexyl)oxy)-4-ethynylbenzene 、 3,5-二甲基苄胺 以 乙醇 为溶剂， 反应 36.0h， 生成 N-[(3,5-dimethylphenyl)methyl]-6-(4-ethynylphenoxy)hexan-1-amine
  参考文献：
  名称：

  Fluorescence Control of Boron Enaminoketonate Using a Rotaxane Shuttle

  摘要：

  The effect of rotaxane shuttling on the fluorescence properties of a fluorophore was investigated by exploiting fluorophore-tethered [2]rotaxanes. A fluorescent boron enaminoketonate (BEK) moiety was introduced in a rotaxane via transformation of an isoxazole unit generated as a result of an end-capping reaction using a nitrile N-oxide. The rotaxane exhibited a red shift of the fluorescence maximum along with a remarkable enhancement of the fluorescence quantum yield through wheel translation to the fluorophore.

  DOI：

  10.1021/ol401984j
• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 1-((6-chlorohexyl)oxy)-4-ethynylbenzene
  参考文献：
  名称：

  Fluorescence Control of Boron Enaminoketonate Using a Rotaxane Shuttle

  摘要：

  The effect of rotaxane shuttling on the fluorescence properties of a fluorophore was investigated by exploiting fluorophore-tethered [2]rotaxanes. A fluorescent boron enaminoketonate (BEK) moiety was introduced in a rotaxane via transformation of an isoxazole unit generated as a result of an end-capping reaction using a nitrile N-oxide. The rotaxane exhibited a red shift of the fluorescence maximum along with a remarkable enhancement of the fluorescence quantum yield through wheel translation to the fluorophore.

  DOI：

  10.1021/ol401984j