13-bromo-1-(2,4,6-trimethoxyphenyl)-5,8,11-trioxa-2-thiatridecane | 1426289-98-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 13-bromo-1-(2,4,6-trimethoxyphenyl)-5,8,11-trioxa-2-thiatridecane
• CAS: 1426289-98-6
• 化学式: C₁₈H₂₉BrO₆S
• 分子量: 453.395
• InChiKey: KDTJTEZMRNOMTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.39
• 重原子数：
  26.0
• 可旋转键数：
  16.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  13-bromo-1-(2,4,6-trimethoxyphenyl)-5,8,11-trioxa-2-thiatridecane 在 三乙基硅烷 、 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 mineral oil 为溶剂， 反应 48.0h， 生成 3-[3-[3-[3-[Bis[3-[bis(2-cyanoethyl)amino]propyl]amino]propyl-[2-[4-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethyl]amino]propyl-[3-[bis(2-cyanoethyl)amino]propyl]amino]propyl-(2-cyanoethyl)amino]propanenitrile
  参考文献：
  名称：

  A new poly(propylene imine) dendron as potential convenient building-block in the construction of multifunctional systems

  摘要：

  The synthesis of a novel third generation poly(propylene imine) dendron (PPI dendron) is described herein. The dendritic focal point was attached to a tetraethylene glycol spacer that was terminated with a Tmob-protected thiol in order to both avoid any side-reaction during functionalization of dendritic branches as well as enable convenient integration of the dendron into diverse complex systems. The protonation of the final PPI dendron at pH 4-5 is predicted to induce lysosomal degradation through the proton-sponge effect, and therefore enable cytosolic release. These features make the prepared dendron a very convenient building-block for use in the construction of larger systems, such as multifunctional drug delivery vehicles. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.070
• 作为产物：
  描述：

  巯基-PEG4-醇 在 三氟乙酸 、 lithium bromide 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 为溶剂， 反应 50.55h， 生成 13-bromo-1-(2,4,6-trimethoxyphenyl)-5,8,11-trioxa-2-thiatridecane
  参考文献：
  名称：

  A new poly(propylene imine) dendron as potential convenient building-block in the construction of multifunctional systems

  摘要：

  The synthesis of a novel third generation poly(propylene imine) dendron (PPI dendron) is described herein. The dendritic focal point was attached to a tetraethylene glycol spacer that was terminated with a Tmob-protected thiol in order to both avoid any side-reaction during functionalization of dendritic branches as well as enable convenient integration of the dendron into diverse complex systems. The protonation of the final PPI dendron at pH 4-5 is predicted to induce lysosomal degradation through the proton-sponge effect, and therefore enable cytosolic release. These features make the prepared dendron a very convenient building-block for use in the construction of larger systems, such as multifunctional drug delivery vehicles. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.070