6-[(4-Iodo-phenyl)-methyl-amino]-hexan-1-ol | 680185-35-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6-[(4-Iodo-phenyl)-methyl-amino]-hexan-1-ol
• CAS: 680185-35-7
• 化学式: C₁₃H₂₀INO
• 分子量: 333.212
• InChiKey: KBEFKRJCEKMOBW-UHFFFAOYSA-N

物化性质

• 沸点：
  401.3±30.0 °C(Predicted)
• 密度：
  1.451±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 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：
  0.54
• 拓扑面积：
  23.47
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6-[(4-Iodo-phenyl)-methyl-amino]-hexan-1-ol 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 44.5h， 生成 [6-((1S,2R,4S)-1-Bicyclo[2.2.1]hept-5-en-2-ylmethoxy)-hexyl]-{4-[(E)-3,4-bis-(tert-butyl-dimethyl-silanyloxymethyl)-6-(4-nitro-phenyl)-hex-3-ene-1,5-diynyl]-phenyl}-methyl-amine
  参考文献：
  名称：

  Synthesis and properties of a ROMP backbone polymer with efficient, laterally appended nonlinear optical chromophores

  摘要：

  The synthesis and properties of a new ROMP backbone polymer bearing lateral donor - acceptor- substituted (E)-diethynylethene (( E)-hex-3-ene-1,5-diyne) chromophores are described. The polymer with an average of 40 monomeric repeat units is readily soluble in common organic solvents such as tetrahydrofuran, dichloromethane and chloroform. Good optical-quality films were obtained by spin coating. The third-order susceptibility chi((3)) at a wavelength of 1907 nm was determined to be 100 times greater than that of fused silica. After electrical poling, the polymer also showed a significant second-order nonlinear optical coefficient (d(33)) value, which decays by a factor of two over a period of one month at room temperature.

  DOI：

  10.1039/b314789d
• 作为产物：
  描述：

  N-甲基苯胺 在 碘 、 碳酸氢钠 、 potassium carbonate 作用下， 以 正丁醇 为溶剂， 反应 72.75h， 生成 6-[(4-Iodo-phenyl)-methyl-amino]-hexan-1-ol
  参考文献：
  名称：

  Synthesis and properties of a ROMP backbone polymer with efficient, laterally appended nonlinear optical chromophores

  摘要：

  The synthesis and properties of a new ROMP backbone polymer bearing lateral donor - acceptor- substituted (E)-diethynylethene (( E)-hex-3-ene-1,5-diyne) chromophores are described. The polymer with an average of 40 monomeric repeat units is readily soluble in common organic solvents such as tetrahydrofuran, dichloromethane and chloroform. Good optical-quality films were obtained by spin coating. The third-order susceptibility chi((3)) at a wavelength of 1907 nm was determined to be 100 times greater than that of fused silica. After electrical poling, the polymer also showed a significant second-order nonlinear optical coefficient (d(33)) value, which decays by a factor of two over a period of one month at room temperature.

  DOI：

  10.1039/b314789d