[5-[9,10-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-6-(4-octyl-5-trimethylsilylthiophen-2-yl)anthracen-2-yl]-3-octylthiophen-2-yl]-trimethylsilane | 1201694-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [5-[9,10-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-6-(4-octyl-5-trimethylsilylthiophen-2-yl)anthracen-2-yl]-3-octylthiophen-2-yl]-trimethylsilane
• CAS: 1201694-58-7
• 化学式: C₅₄H₇₂S₁₀Si₂
• 分子量: 1098.0
• InChiKey: LECISEFIWABODR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.14
• 重原子数：
  66
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  259
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [5-[9,10-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-6-(4-octyl-5-trimethylsilylthiophen-2-yl)anthracen-2-yl]-3-octylthiophen-2-yl]-trimethylsilane 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以82%的产率得到
  参考文献：
  名称：

  Synthesis and properties of thiophene-functionalized π-extended tetrathiafulvalenes

  摘要：

  Two molecular ensembles composed of an array of thiophene-extended tetrathiafulvalene-thiophene were synthesized using Stille coupling and Horner-Wittig reaction as the key steps. Electrochemical redox and electronic absorption properties were investigated by voltammetric and UV-vis spectroscopic analyses. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.150
• 作为产物：
  描述：

  2,6-Bis(4-octyl-5-trimethylsilylthiophen-2-yl)anthracene-9,10-dione 、 dimethyl 4,5-bis(methylthio)-1,3-dithiole phosphonate ester 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以95%的产率得到[5-[9,10-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-6-(4-octyl-5-trimethylsilylthiophen-2-yl)anthracen-2-yl]-3-octylthiophen-2-yl]-trimethylsilane
  参考文献：
  名称：

  Synthesis and properties of thiophene-functionalized π-extended tetrathiafulvalenes

  摘要：

  Two molecular ensembles composed of an array of thiophene-extended tetrathiafulvalene-thiophene were synthesized using Stille coupling and Horner-Wittig reaction as the key steps. Electrochemical redox and electronic absorption properties were investigated by voltammetric and UV-vis spectroscopic analyses. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.150