N-[3-[(4-ethynylbenzoyl)amino]propyl]-3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzamide | 1312288-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[3-[(4-ethynylbenzoyl)amino]propyl]-3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzamide
• CAS: 1312288-31-5
• 化学式: C₄₀H₆₀N₂O₁₄
• 分子量: 792.921
• InChiKey: IOYWOBVXAXIJQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  56
• 可旋转键数：
  37
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  169
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  N-[3-[(4-ethynylbenzoyl)amino]propyl]-3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzamide 、 2-iodotetrathiafulvalene 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以85%的产率得到
  参考文献：
  名称：

  Multistimuli Responsive Micelles Formed by a Tetrathiafulvalene-Functionalized Amphiphile

  摘要：

  An electroactive tetrathiafulvalene (TTF)-functionalized amphiphile 1 was designed and synthesized to investigate its self-assembling behavior in water, Dynamic light scattering (DLS), H-1 NMR, fluorescence spectrum, and cryogenic transmission electron microscopy (cryo-TEM) studies revealed that amphiphile 1 can form micelle-like aggregates via direct dissolution into water, and the micellar architectures could be disrupted either by addition of chemical oxidant Fe(ClO4)(3) or by complexation with electron-deficient cyclobis(paraquat-p-phenylene) tetracation. cyclophane (CBPQT(4+)) to release encapsulated hydrophobic dye Nile Red from the interior of micelles.

  DOI：

  10.1021/la201699t
• 作为产物：
  描述：

  N-(3-aminopropyl)-3,4,5-tris(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)benzamide 在 copper(l) iodide 、 四(三苯基膦)钯 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.75h， 生成 N-[3-[(4-ethynylbenzoyl)amino]propyl]-3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzamide
  参考文献：
  名称：

  Multistimuli Responsive Micelles Formed by a Tetrathiafulvalene-Functionalized Amphiphile

  摘要：

  An electroactive tetrathiafulvalene (TTF)-functionalized amphiphile 1 was designed and synthesized to investigate its self-assembling behavior in water, Dynamic light scattering (DLS), H-1 NMR, fluorescence spectrum, and cryogenic transmission electron microscopy (cryo-TEM) studies revealed that amphiphile 1 can form micelle-like aggregates via direct dissolution into water, and the micellar architectures could be disrupted either by addition of chemical oxidant Fe(ClO4)(3) or by complexation with electron-deficient cyclobis(paraquat-p-phenylene) tetracation. cyclophane (CBPQT(4+)) to release encapsulated hydrophobic dye Nile Red from the interior of micelles.

  DOI：

  10.1021/la201699t

文献信息

• Reversible multistimuli-responsive vesicles formed by an amphiphilic cationic platinum(ii) terpyridyl complex with a ferrocene unit in water
  作者：Ling-Bao Xing、Shan Yu、Xiao-Jun Wang、Ge-Xia Wang、Bin Chen、Li-Ping Zhang、Chen-Ho Tung、Li-Zhu Wu

  DOI：10.1039/c2cc35960j

  日期：——

  An amphiphilic cationic platinum(II) terpyridyl complex 1 with a redox ferrocene unit has been demonstrated to form well-defined vesicular architectures that could be disrupted and regenerated reversibly by multi-stimuli in water. The hydrophobic and hydrophilic alternation of 1 was achieved via modulating its intramolecular ILCT state to MLCT state.

  具有氧化还原二茂铁单元的两亲性阳离子铂(II)三联吡啶络合物 1 已被证明可以形成明确的囊泡结构，该结构可以通过水中的多重刺激可逆地破坏和再生。 1的疏水和亲水交替是通过调节其分子内ILCT状态到MLCT状态来实现的。
• Self-assembled vesicles from amphiphilic platinum(II) terpyridyl complex in water
  作者：Ling-Bao Xing、Xiao-Jun Wang、Xue-Wang Gao、Bin Chen、Chen-Ho Tung、Li-Zhu Wu

  DOI：10.1080/10610278.2014.975706

  日期：2015.6.3

  A new cationic amphiphile (1) functionalised with platinum(II) terpyridyl unit was designed and synthesised to realize self-assembly in water. Using UV-vis and emission spectroscopy, scanning electron microscopy, cryogenic transmission electron microscopy, dynamic light scattering and time-correlated single-photon counting technique, we have demonstrated that amphiphile 1 can self-assemble into stable vesicular aggregates upon direct dissolution in water, which is rarely observed in the literature.
• Multistimuli Responsive Micelles Formed by a Tetrathiafulvalene-Functionalized Amphiphile
  作者：Xiao-Jun Wang、Ling-Bao Xing、Feng Wang、Ge-Xia Wang、Bin Chen、Chen-Ho Tung、Li-Zhu Wu

  DOI：10.1021/la201699t

  日期：2011.7.19

  An electroactive tetrathiafulvalene (TTF)-functionalized amphiphile 1 was designed and synthesized to investigate its self-assembling behavior in water, Dynamic light scattering (DLS), H-1 NMR, fluorescence spectrum, and cryogenic transmission electron microscopy (cryo-TEM) studies revealed that amphiphile 1 can form micelle-like aggregates via direct dissolution into water, and the micellar architectures could be disrupted either by addition of chemical oxidant Fe(ClO4)(3) or by complexation with electron-deficient cyclobis(paraquat-p-phenylene) tetracation. cyclophane (CBPQT(4+)) to release encapsulated hydrophobic dye Nile Red from the interior of micelles.