| 1526928-79-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1526928-79-9
• 化学式: C₁₉H₂₃N₇O₄S₂
• 分子量: 477.568
• InChiKey: COXWVRNPJQOGQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  32.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  137.64
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  、 四丁基氯化铵 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and anion recognition studies of a dipodal thiourea-based sensor for anions

  摘要：

  A new dipodal thiourea-based sensor (L) has been synthesized and its binding affinity toward a variety of anions has been investigated in solution and solid state. The colorimetric studies show a significant color change of L in the presence of fluoride, dihydrogen phosphate, and acetate in DMSO. The data obtained from UV-vis titrations is consistent with the results of the colorimetric observations. As investigated by H-1 NMR titrations, the sensor binds an anion in a 1:1 binding mode showing the binding trend in the order of F- > Cl- > Br- > I- for halides and H2PO4- > CH3COO-, SO42- > HSO4- > NO3-, ClO4- for oxoanions. The data demonstrates that the binding is primarily influenced by the basicity of anions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.050
• 作为产物：
  描述：

  N-甲基-2,2-二氨基二乙胺 、 异硫代氰基4-硝基苯酯 以 二氯甲烷 为溶剂， 反应 6.0h， 以60%的产率得到
  参考文献：
  名称：

  Synthesis and anion recognition studies of a dipodal thiourea-based sensor for anions

  摘要：

  A new dipodal thiourea-based sensor (L) has been synthesized and its binding affinity toward a variety of anions has been investigated in solution and solid state. The colorimetric studies show a significant color change of L in the presence of fluoride, dihydrogen phosphate, and acetate in DMSO. The data obtained from UV-vis titrations is consistent with the results of the colorimetric observations. As investigated by H-1 NMR titrations, the sensor binds an anion in a 1:1 binding mode showing the binding trend in the order of F- > Cl- > Br- > I- for halides and H2PO4- > CH3COO-, SO42- > HSO4- > NO3-, ClO4- for oxoanions. The data demonstrates that the binding is primarily influenced by the basicity of anions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.050