4-(2-methoxycarbonylethylthio)-5-trimethylsilyl-1,3-diselenole-2-selone | 307298-49-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(2-methoxycarbonylethylthio)-5-trimethylsilyl-1,3-diselenole-2-selone
• 英文别名: Methyl 3-[(2-selanylidene-5-trimethylsilyl-1,3-diselenol-4-yl)sulfanyl]propanoate
• CAS: 307298-49-3
• 化学式: C₁₀H₁₆O₂SSe₃Si
• 分子量: 465.267
• InChiKey: IQYRBBZWCHCKGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-methoxycarbonylethylthio)-5-trimethylsilyl-1,3-diselenole-2-selone 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-(2-methoxycarbonylethylthio)-1,3-diselenole-2-selone
  参考文献：
  名称：

  Improved Synthesis of Double‐Bridged Tetraselenafulvalenophanes and Formation of Their Conductive Radical Cation Salts

  摘要：

  The double-bridged tetraselenafulvalenophanes (TSF-phanes, 4) were efficiently synthesized by a new method using the deprotection/realkylation sequence of the TSF bisthiolate building block jr. Electrocrystallization of 4b with the Au(CN) counter-anion gave a radical cation salt that showed a very high conductivity of 53 S cm(-1) at room temperature. X-ray crystallographic analysis revealed that the crystal structure contained many intra- and intermolecular Se-Se contacts; favorable for high conductivity.

  DOI：

  10.1002/1099-0690(200009)2000:17<3013::aid-ejoc3013>3.0.co;2-#
• 作为产物：
  描述：

  二硒化碳 、 3-thiocyanatopropionic acid methyl ester 、 三甲基乙炔基硅 在 selenium 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 4.0h， 生成 4-trimethylsilyl-1,3-diselenole-2-selone 、 4-(2-methoxycarbonylethylthio)-5-trimethylsilyl-1,3-diselenole-2-selone
  参考文献：
  名称：

  Improved Synthesis of Double‐Bridged Tetraselenafulvalenophanes and Formation of Their Conductive Radical Cation Salts

  摘要：

  The double-bridged tetraselenafulvalenophanes (TSF-phanes, 4) were efficiently synthesized by a new method using the deprotection/realkylation sequence of the TSF bisthiolate building block jr. Electrocrystallization of 4b with the Au(CN) counter-anion gave a radical cation salt that showed a very high conductivity of 53 S cm(-1) at room temperature. X-ray crystallographic analysis revealed that the crystal structure contained many intra- and intermolecular Se-Se contacts; favorable for high conductivity.

  DOI：

  10.1002/1099-0690(200009)2000:17<3013::aid-ejoc3013>3.0.co;2-#