[2-[[4-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[1-[(2-boronophenyl)methyl]triazol-4-yl]phenyl]ethyl]phenyl]triazol-1-yl]methyl]phenyl]boronic acid | 1526990-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [2-[[4-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[1-[(2-boronophenyl)methyl]triazol-4-yl]phenyl]ethyl]phenyl]triazol-1-yl]methyl]phenyl]boronic acid
• CAS: 1526990-61-3
• 化学式: C₄₂H₃₈B₂N₆O₄S₈
• 分子量: 968.952
• InChiKey: VPAMWUHPWCNLJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.36
• 重原子数：
  62.0
• 可旋转键数：
  15.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  142.34
• 氢给体数：
  4.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  fructopyranose 、 [2-[[4-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[1-[(2-boronophenyl)methyl]triazol-4-yl]phenyl]ethyl]phenyl]triazol-1-yl]methyl]phenyl]boronic acid 、 水 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  TTFV molecular tweezers with phenylboronic acid and phenylboronate endgroups: modular synthesis and electrochemical responses to saccharides and fluoride ion

  摘要：

  Tweezer-like molecular systems containing a redox-active tetrathiafulvalene vinylogue (TTFV) unit and two phenylboronate or phenylboronic acid endgroups were synthesized via the Cu-catalyzed alkyne azide coupling (i.e., click) reaction. The TTFV-phenylboronic acid derivative was found to show different differential pulse voltammetric (DPV) responses to various monosaccharides in aqueous DMSO at pH 7.41, suggesting potential use in electrochemical sensing of saccharides. Moreover, the TTFV-phenylboronate derivative exhibited strong binding to the fluoride ion, giving rise to sensitive electrochemical detection of the fluoride ion. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.036
• 作为产物：
  描述：

  2-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-(2-trimethylsilylethynyl)phenyl]ethyl]phenyl]ethynyl-trimethylsilane 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙腈 为溶剂， 反应 3.08h， 生成 [2-[[4-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[1-[(2-boronophenyl)methyl]triazol-4-yl]phenyl]ethyl]phenyl]triazol-1-yl]methyl]phenyl]boronic acid
  参考文献：
  名称：

  TTFV molecular tweezers with phenylboronic acid and phenylboronate endgroups: modular synthesis and electrochemical responses to saccharides and fluoride ion

  摘要：

  Tweezer-like molecular systems containing a redox-active tetrathiafulvalene vinylogue (TTFV) unit and two phenylboronate or phenylboronic acid endgroups were synthesized via the Cu-catalyzed alkyne azide coupling (i.e., click) reaction. The TTFV-phenylboronic acid derivative was found to show different differential pulse voltammetric (DPV) responses to various monosaccharides in aqueous DMSO at pH 7.41, suggesting potential use in electrochemical sensing of saccharides. Moreover, the TTFV-phenylboronate derivative exhibited strong binding to the fluoride ion, giving rise to sensitive electrochemical detection of the fluoride ion. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.036