(3-([2,2'-bi(1,3-dithiolylidene)]-4-yl)phenyl)dicyanomethanide | 330796-04-8

• 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: (3-([2,2'-bi(1,3-dithiolylidene)]-4-yl)phenyl)dicyanomethanide
• CAS: 330796-04-8
• 化学式: C₁₅H₇N₂S₄
• 分子量: 343.498
• InChiKey: LLOPNCPTZPOCHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.51
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.58
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3-([2,2'-bi(1,3-dithiolylidene)]-4-yl)phenyl)dicyanomethanide 在 高氯酸四乙基铵 作用下， 以 乙腈 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Generation and Amphoteric Redox Properties of Novel Neutral Radicals with the TTF-TCNQ Hybrid Structure1

  摘要：

  One electron oxidation of 4-(2-tetrathiafulvalenyl)phenyl substituted dicyanomethylides (1-) gave black solids of the title radicals (1(.)). They exhibit quite high electrochemical amphotericity, which may be responsible for their good electrical conductivities (sigma = ca. 10(-7) S cm(-1)) as a single component. Isomeric radicals (2(.)) with a m-phenylene spacer could not be obtained under the similar conditions probably due to insufficient delocalization of the unpaired electron.

  DOI：

  10.3987/com-00-s(i)60
• 作为产物：
  描述：

  (trimethylstannyl)tetrathiafulvalene 在 四(三苯基膦)钯 、 三乙胺 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 6.0h， 生成 (3-([2,2'-bi(1,3-dithiolylidene)]-4-yl)phenyl)dicyanomethanide
  参考文献：
  名称：

  Generation and Amphoteric Redox Properties of Novel Neutral Radicals with the TTF-TCNQ Hybrid Structure1

  摘要：

  One electron oxidation of 4-(2-tetrathiafulvalenyl)phenyl substituted dicyanomethylides (1-) gave black solids of the title radicals (1(.)). They exhibit quite high electrochemical amphotericity, which may be responsible for their good electrical conductivities (sigma = ca. 10(-7) S cm(-1)) as a single component. Isomeric radicals (2(.)) with a m-phenylene spacer could not be obtained under the similar conditions probably due to insufficient delocalization of the unpaired electron.

  DOI：

  10.3987/com-00-s(i)60