2-[2-tert-butyl-6-[(E)-2-[4-[methyl-[2-[4-[7-(2-trimethylsilylethynyl)-2,1,3-benzothiadiazol-4-yl]triazol-1-yl]ethyl]amino]phenyl]ethenyl]pyran-4-ylidene]propanedinitrile | 1426835-58-6

• 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-[2-tert-butyl-6-[(E)-2-[4-[methyl-[2-[4-[7-(2-trimethylsilylethynyl)-2,1,3-benzothiadiazol-4-yl]triazol-1-yl]ethyl]amino]phenyl]ethenyl]pyran-4-ylidene]propanedinitrile
• CAS: 1426835-58-6
• 化学式: C₃₆H₃₆N₈OSSi
• 分子量: 656.886
• InChiKey: OGNWAABFVSPZQL-GXDHUFHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.52
• 重原子数：
  47
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  145
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-((2-azidoethyl)(methyl)amino)benzaldehyde 在 哌啶 、 potassium hydroxide 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 反应 12.0h， 生成 2-[2-tert-butyl-6-[(E)-2-[4-[methyl-[2-[4-[7-(2-trimethylsilylethynyl)-2,1,3-benzothiadiazol-4-yl]triazol-1-yl]ethyl]amino]phenyl]ethenyl]pyran-4-ylidene]propanedinitrile
  参考文献：
  名称：

  Fluorescent dyad for cooperative recognition of copper cation and halogen anion

  摘要：

  TMS-ethynyl triazolyl benzothiadiazole (BTD) derivatives have been successfully synthesized by mono deprotection of di-TMS-ethynyl BTD followed by click chemistry. The fluorescence intensity of TMS-ethynyl triazolyl BTD-DCM dyad 8, as well as triazolyl BTD 3, and the DCM derivative 7 could be selectively quenched by Cu2+, but almost not affected by different tested anions. Interestingly, the fluorescence emission of DCM-based fluorophores 7 and 8 was highly sensitive to a combination of Cu2+, F-, or Br- in a sequence dependent manner. With the dyad 8, the detection limit as low as 0.13 ppb could be attained for F- in MeCN. The Cu2+-promoted aerobic oxidative dimerization of DCM moiety to tetrahydrofuran derivatives has also been demonstrated for the first time. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.119