2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazolidine-1,3-diol | 1220993-13-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazolidine-1,3-diol
• CAS: 1220993-13-4
• 化学式: C₁₇H₁₈Br₂N₂O₂S₄
• 分子量: 570.414
• InChiKey: JXVHKUJLNLGWCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.36
• 重原子数：
  27.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.94
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazolidine-1,3-diol 在 potassium carbonate 、 lead dioxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以90%的产率得到2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl
  参考文献：
  名称：

  Influence of Magnetic Field upon the Conductance of a Unicomponent Crystal of a Tetrathiafulvalene-Based Nitronyl Nitroxide

  摘要：

  A spin-polarized donor, BTBN, which is a dibromotetrathiafulvalene derivative containing a nitronyl nitroxide group in a cross-conjugated manner, was prepared. Upon hole injection from an electrode, the neutral microcrystals of BTBN exhibited nonlinear I-V characteristics that were interpreted in terms of the space-charge-limited conduction (SCLC) mechanism. Moreover, the resistance of BTBN decreased upon application of a magnetic field below 30 K and exhibited a giant negative magnetoresistance of (R-H - R-0)/R-0 = -76% at 2 K under 5 T. These results show that the transport of carriers in the neutral unicomponent radical crystal can be controlled by the external magnetic field. These findings are important as a basis for developing molecule-based spin electronic devices.

  DOI：

  10.1021/ja9109538
• 作为产物：
  描述：

  2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-carbaldehyde 、 N,N’-二羟基-2,3-二甲基-2,3-丁二胺 、 2,3-双(羟基氨基)-2,3-二甲基丁烷硫酸盐 以 甲醇 、 苯 为溶剂， 反应 3.0h， 以95%的产率得到2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazolidine-1,3-diol
  参考文献：
  名称：

  Influence of Magnetic Field upon the Conductance of a Unicomponent Crystal of a Tetrathiafulvalene-Based Nitronyl Nitroxide

  摘要：

  A spin-polarized donor, BTBN, which is a dibromotetrathiafulvalene derivative containing a nitronyl nitroxide group in a cross-conjugated manner, was prepared. Upon hole injection from an electrode, the neutral microcrystals of BTBN exhibited nonlinear I-V characteristics that were interpreted in terms of the space-charge-limited conduction (SCLC) mechanism. Moreover, the resistance of BTBN decreased upon application of a magnetic field below 30 K and exhibited a giant negative magnetoresistance of (R-H - R-0)/R-0 = -76% at 2 K under 5 T. These results show that the transport of carriers in the neutral unicomponent radical crystal can be controlled by the external magnetic field. These findings are important as a basis for developing molecule-based spin electronic devices.

  DOI：

  10.1021/ja9109538