3-{5-(2-Cyano-ethylsulfanyl)-2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-ethylidene]-[1,3]dithiol-4-ylsulfanyl}-propionitrile | 532926-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: 3-{5-(2-Cyano-ethylsulfanyl)-2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-ethylidene]-[1,3]dithiol-4-ylsulfanyl}-propionitrile
• 英文别名: 3-[[5-(2-Cyanoethylsulfanyl)-2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)ethylidene]-1,3-dithiol-4-yl]sulfanyl]propanenitrile；3-[[5-(2-cyanoethylsulfanyl)-2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)ethylidene]-1,3-dithiol-4-yl]sulfanyl]propanenitrile
• CAS: 532926-73-1
• 化学式: C₁₆H₁₄N₂S₈
• 分子量: 490.829
• InChiKey: LYUNZTQFSMZPCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  250
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3-{5-(2-Cyano-ethylsulfanyl)-2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-ethylidene]-[1,3]dithiol-4-ylsulfanyl}-propionitrile 、 碘甲烷 在 cesium hydroxide 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到3-{2-[2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-eth-(E)-ylidene]-5-methylsulfanyl-[1,3]dithiol-4-ylsulfanyl}-propionitrile
  参考文献：
  名称：

  New extended analogues of TTF via triethylphosphite-mediated reaction

  摘要：

  New extended derivatives of TTF bearing cyanoethylsulfanyl or furan groups which cannot be obtained by Wittig-type reaction with Akiba's reagent have been synthesized using a clean, cheap-step and rapid methodology; their electrochemical and optical behavior are studied. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00024-8
• 作为产物：
  描述：

  2-Methylsulfanyl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-1-ylium 在 碘 、 三乙胺 、 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 生成 3-{5-(2-Cyano-ethylsulfanyl)-2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-ethylidene]-[1,3]dithiol-4-ylsulfanyl}-propionitrile
  参考文献：
  名称：

  New extended analogues of TTF via triethylphosphite-mediated reaction

  摘要：

  New extended derivatives of TTF bearing cyanoethylsulfanyl or furan groups which cannot be obtained by Wittig-type reaction with Akiba's reagent have been synthesized using a clean, cheap-step and rapid methodology; their electrochemical and optical behavior are studied. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00024-8

文献信息

• New extended analogues of TTF via triethylphosphite-mediated reaction
  作者：Philippe Leriche、Sophie Roquet、Nicolas Pillerel、Gilles Mabon、Pierre Frère

  DOI：10.1016/s0040-4039(03)00024-8

  日期：2003.2

  New extended derivatives of TTF bearing cyanoethylsulfanyl or furan groups which cannot be obtained by Wittig-type reaction with Akiba's reagent have been synthesized using a clean, cheap-step and rapid methodology; their electrochemical and optical behavior are studied. (C) 2003 Elsevier Science Ltd. All rights reserved.