4-[[2-[4,5-Bis[(4-formylphenyl)sulfanyl]-1,3-dithiol-2-ylidene]-5-(4-formylphenyl)sulfanyl-1,3-dithiol-4-yl]sulfanyl]benzaldehyde | 594866-12-3

• 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: 4-[[2-[4,5-Bis[(4-formylphenyl)sulfanyl]-1,3-dithiol-2-ylidene]-5-(4-formylphenyl)sulfanyl-1,3-dithiol-4-yl]sulfanyl]benzaldehyde
• 英文别名: 4-[[2-[4,5-bis[(4-formylphenyl)sulfanyl]-1,3-dithiol-2-ylidene]-5-(4-formylphenyl)sulfanyl-1,3-dithiol-4-yl]sulfanyl]benzaldehyde
• CAS: 594866-12-3
• 化学式: C₃₄H₂₀O₄S₈
• 分子量: 749.058
• InChiKey: PCLDONJGLGSRPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  271
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2,3-dimethyl-2,3-di(hydroxyamino)nonane 、 4-[[2-[4,5-Bis[(4-formylphenyl)sulfanyl]-1,3-dithiol-2-ylidene]-5-(4-formylphenyl)sulfanyl-1,3-dithiol-4-yl]sulfanyl]benzaldehyde 在 硫酸 作用下， 以 四氢呋喃 为溶剂， 以56%的产率得到2-[4-[[2-[4,5-Bis[[4-(4-hexyl-1,3-dihydroxy-4,5,5-trimethylimidazolidin-2-yl)phenyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[4-(4-hexyl-1,3-dihydroxy-4,5,5-trimethylimidazolidin-2-yl)phenyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]phenyl]-4-hexyl-1,3-dihydroxy-4,5,5-trimethylimidazolidine
  参考文献：
  名称：

  A novel TTF-based donor carrying four nitronyl nitroxides

  摘要：

  A novel TTF-based tetraradical donor was synthesized and its electronic structure was fully characterized by spectroscopic measurements, magnetic susceptibility measurements. and electrochemical analyses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00840-2
• 作为产物：
  描述：

  四硫富瓦烯 在 对甲苯磺酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醚 、 水 为溶剂， 生成 4-[[2-[4,5-Bis[(4-formylphenyl)sulfanyl]-1,3-dithiol-2-ylidene]-5-(4-formylphenyl)sulfanyl-1,3-dithiol-4-yl]sulfanyl]benzaldehyde
  参考文献：
  名称：

  A novel TTF-based donor carrying four nitronyl nitroxides

  摘要：

  A novel TTF-based tetraradical donor was synthesized and its electronic structure was fully characterized by spectroscopic measurements, magnetic susceptibility measurements. and electrochemical analyses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00840-2

文献信息

• A novel TTF-based donor carrying four nitronyl nitroxides
  作者：Genta Harada、Toshio Jin、Akira Izuoka、Michio M. Matsushita、Tadashi Sugawara

  DOI：10.1016/s0040-4039(03)00840-2

  日期：2003.6

  A novel TTF-based tetraradical donor was synthesized and its electronic structure was fully characterized by spectroscopic measurements, magnetic susceptibility measurements. and electrochemical analyses. (C) 2003 Elsevier Science Ltd. All rights reserved.