1-(1-hexyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-hydroxy-2-methylpropan-1-one | 922528-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(1-hexyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-hydroxy-2-methylpropan-1-one
• CAS: 922528-35-6
• 化学式: C₁₉H₂₉NO₂
• 分子量: 303.445
• InChiKey: WNVYUHGKWHNATK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  40.54
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(1-hexyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-hydroxy-2-methylpropan-1-one 、 丙二腈 在 吡啶 、 溶剂黄146 作用下， 以38%的产率得到3-cyano-2-dicyanomethylene-4-(1-hexyl-1,2,3,4-tetrahydroquinolin-6-yl)-5,5-dimethyl-2,5-dihydrofuran
  参考文献：
  名称：

  The influence of tetrahydroquinoline rings in dicyanomethylenedihydrofuran (DCDHF) single-molecule fluorophores

  摘要：

  We have synthesized several series of DCDHF fluorophores with the amine donor either acyclic or constrained in one or two tetrahydroquinoline rings. The absorption and the fluorescence emission wavelengths and quantum yields have been determined and correlated with the specific donor structures. Generally, inclusion of the donor in a ring annulated to the benzene or naphthalene aromatic (Ar) pi-core results in a bathochromic shift of absorption and emission accompanied by an increase in the quantum yield. Thus, the tetrahydroquinoline donor provides an efficient way to tailor the properties of fluorophores with substituted amines as electron-donating groups. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.044
• 作为产物：
  描述：

  1,2,3,4-四氢喹啉 在 正丁基锂 、 四溴环己二烯-1-酮 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.75h， 生成 1-(1-hexyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-hydroxy-2-methylpropan-1-one
  参考文献：
  名称：

  The influence of tetrahydroquinoline rings in dicyanomethylenedihydrofuran (DCDHF) single-molecule fluorophores

  摘要：

  We have synthesized several series of DCDHF fluorophores with the amine donor either acyclic or constrained in one or two tetrahydroquinoline rings. The absorption and the fluorescence emission wavelengths and quantum yields have been determined and correlated with the specific donor structures. Generally, inclusion of the donor in a ring annulated to the benzene or naphthalene aromatic (Ar) pi-core results in a bathochromic shift of absorption and emission accompanied by an increase in the quantum yield. Thus, the tetrahydroquinoline donor provides an efficient way to tailor the properties of fluorophores with substituted amines as electron-donating groups. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.044