2-[[3,5-Bis[[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]methyl]phenyl]methylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole | 1426065-34-0

• 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: 2-[[3,5-Bis[[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]methyl]phenyl]methylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
• 英文别名: 2-[[3,5-bis[[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]methyl]phenyl]methylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
• CAS: 1426065-34-0
• 化学式: C₂₄H₂₄S₁₂
• 分子量: 697.247
• InChiKey: GLCDMINMTCOSGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  304
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4,5-双(甲硫代)-1,3-二硫杂环戊烯-2-硫酮 、 均苯三甲醛 在 亚磷酸三乙酯 作用下， 反应 96.0h， 以20%的产率得到2-[[3,5-Bis[[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]methyl]phenyl]methylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
  参考文献：
  名称：

  On the Phosphite-Mediated Synthesis of Dithiafulvenes and π-Extended Tetrathiafulvalenes

  摘要：

  By phosphite-mediated couplings between functionalized benzaldehydes and 1,3-dithiole-2-thiones we have obtained a variety of pi-extended tetrathiafulvalenes (TTF). In particular, this method has provided a new stilbene-extended TTF with lateral alkyne functionalities, an H-type cruciform structure. This outcome is the result of a phosphite-mediated coupling between two aldehydes.

  DOI：

  10.1055/s-0032-1317921

文献信息

• On the Phosphite-Mediated Synthesis of Dithiafulvenes and π-Extended Tetrathiafulvalenes
  作者：Mogens Nielsen、Simon Schou、Christian Parker、Kasper Lincke、Karsten Jennum、Johan Vibenholt、Anders Kadziola

  DOI：10.1055/s-0032-1317921

  日期：——

  By phosphite-mediated couplings between functionalized benzaldehydes and 1,3-dithiole-2-thiones we have obtained a variety of pi-extended tetrathiafulvalenes (TTF). In particular, this method has provided a new stilbene-extended TTF with lateral alkyne functionalities, an H-type cruciform structure. This outcome is the result of a phosphite-mediated coupling between two aldehydes.