[3,5-bis[(E)-2-[2-[4,5-bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]ethenyl]phenyl]methanol | 318267-12-8

• 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: [3,5-bis[(E)-2-[2-[4,5-bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]ethenyl]phenyl]methanol
• CAS: 318267-12-8
• 化学式: C₇₁H₁₁₂OS₁₂
• 分子量: 1366.46
• InChiKey: YNYQNSFZVWXBOK-MLGMXDONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32
• 重原子数：
  84
• 可旋转键数：
  53
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  324
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  [3,5-bis[(E)-2-[2-[4,5-bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]ethenyl]phenyl]methanol 、 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以30%的产率得到
  参考文献：
  名称：

  New functionalized and soluble bis-tetrathiafulvalene derivatives as building blocks in the construction of fullerene-derived electroactive triads

  摘要：

  Novel functionalized bis-tetrathiafulvalene (TTF) derivatives are built on the 1,3,5-benzene core. Long alkyl chains have been incorporated on peripheral positions of the TTF moieties in order to increase the solubility of the final products. After appropriate functionalization of the bis-TTF it has been covalently attached to the C-60 core yielding the first C60TTF2 triad. Electrochemical and spectroscopic studies of the target compounds suggest that there are no significant interactions between the TTF units and the C-60 moiety in the ground state. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01309-5
• 作为产物：
  描述：

  3,5-二甲基苯甲酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 乙醇锂 、 二异丁基氢化铝 作用下， 以 四氯化碳 、 乙醇 、 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 [3,5-bis[(E)-2-[2-[4,5-bis(dodecylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]ethenyl]phenyl]methanol
  参考文献：
  名称：

  New functionalized and soluble bis-tetrathiafulvalene derivatives as building blocks in the construction of fullerene-derived electroactive triads

  摘要：

  Novel functionalized bis-tetrathiafulvalene (TTF) derivatives are built on the 1,3,5-benzene core. Long alkyl chains have been incorporated on peripheral positions of the TTF moieties in order to increase the solubility of the final products. After appropriate functionalization of the bis-TTF it has been covalently attached to the C-60 core yielding the first C60TTF2 triad. Electrochemical and spectroscopic studies of the target compounds suggest that there are no significant interactions between the TTF units and the C-60 moiety in the ground state. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01309-5

文献信息

• New functionalized and soluble bis-tetrathiafulvalene derivatives as building blocks in the construction of fullerene-derived electroactive triads
  作者：José L. Segura、Eva Ma̱ Priego、Nazario Martı́n

  DOI：10.1016/s0040-4039(00)01309-5

  日期：2000.9

  Novel functionalized bis-tetrathiafulvalene (TTF) derivatives are built on the 1,3,5-benzene core. Long alkyl chains have been incorporated on peripheral positions of the TTF moieties in order to increase the solubility of the final products. After appropriate functionalization of the bis-TTF it has been covalently attached to the C-60 core yielding the first C60TTF2 triad. Electrochemical and spectroscopic studies of the target compounds suggest that there are no significant interactions between the TTF units and the C-60 moiety in the ground state. (C) 2000 Elsevier Science Ltd. All rights reserved.