2-(3-dicyanomethylphenyl)-6,7-dimethyltetrathiafulvalene | 330795-93-2

• 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-dicyanomethylphenyl)-6,7-dimethyltetrathiafulvalene
• 英文别名: 2-[3-[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]phenyl]propanedinitrile；2-[3-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]phenyl]propanedinitrile
• CAS: 330795-93-2
• 化学式: C₁₇H₁₂N₂S₄
• 分子量: 372.56
• InChiKey: JBMACLGWYHICFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  149
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(3-dicyanomethylphenyl)-6,7-dimethyltetrathiafulvalene 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成
  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：

  1,3-二碘苯 在 四(三苯基膦)钯 、 sodium hydride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 40.5h， 生成 2-(3-dicyanomethylphenyl)-6,7-dimethyltetrathiafulvalene
  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

文献信息

• Generation and Amphoteric Redox Properties of Novel Neutral Radicals with the TTF-TCNQ Hybrid Structure1
  作者：Takanori Suzuki、Masahiro Yamada、Masakazu Ohkita、Takashi Tsuji

  DOI：10.3987/com-00-s(i)60

  日期：——

  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.