2-[2-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[2-(9,10-dioxoanthracen-2-yl)ethynyl]phenyl]ethyl]phenyl]ethynyl]anthracene-9,10-dione | 1260511-13-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-[2-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[2-(9,10-dioxoanthracen-2-yl)ethynyl]phenyl]ethyl]phenyl]ethynyl]anthracene-9,10-dione
• 英文别名: 2-[2-[4-[1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[2-(9,10-dioxoanthracen-2-yl)ethynyl]phenyl]ethyl]phenyl]ethynyl]anthracene-9,10-dione
• CAS: 1260511-13-4
• 化学式: C₅₆H₃₄O₄S₈
• 分子量: 1027.41
• InChiKey: VDKZFCZZYZANLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.7
• 重原子数：
  68
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  271
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2-[2-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[2-(9,10-dioxoanthracen-2-yl)ethynyl]phenyl]ethyl]phenyl]ethynyl]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 、 正己烷 为溶剂， 反应 0.33h， 以51%的产率得到2-[1,2-Bis[4-[2-[9,10-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-2-yl]ethynyl]phenyl]-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
  参考文献：
  名称：

  Synthesis and properties of TTFV-hinged molecular tweezers

  摘要：

  Two molecular tweezers containing a tetrathiafulvalene vinylogue (TTFV) core were synthesized via sequential Sonogashira and Horner-Wadsworth-Emmons (HWE) reactions. The electrochemical and spectroscopic properties of these TTFV tweezers were investigated by UV-vis absorption spectroscopy, cyclic voltammetry, and spectro-electrochemical measurements. The property characterizations suggest potential application in electrochemically-actuated molecular switching devices. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.032
• 作为产物：
  描述：

  2-[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,2-bis(4-ethynylphenyl)ethylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole 、 2-iodo-anthraquinone 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 作用下， 以 三乙胺 为溶剂， 以38 mg的产率得到2-[2-[4-[1,2-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4-[2-(9,10-dioxoanthracen-2-yl)ethynyl]phenyl]ethyl]phenyl]ethynyl]anthracene-9,10-dione
  参考文献：
  名称：

  Synthesis and properties of TTFV-hinged molecular tweezers

  摘要：

  Two molecular tweezers containing a tetrathiafulvalene vinylogue (TTFV) core were synthesized via sequential Sonogashira and Horner-Wadsworth-Emmons (HWE) reactions. The electrochemical and spectroscopic properties of these TTFV tweezers were investigated by UV-vis absorption spectroscopy, cyclic voltammetry, and spectro-electrochemical measurements. The property characterizations suggest potential application in electrochemically-actuated molecular switching devices. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.032

文献信息

• Synthesis and properties of TTFV-hinged molecular tweezers
  作者：Guang Chen、Stephen Bouzan、Yuming Zhao

  DOI：10.1016/j.tetlet.2010.10.032

  日期：2010.12

  Two molecular tweezers containing a tetrathiafulvalene vinylogue (TTFV) core were synthesized via sequential Sonogashira and Horner-Wadsworth-Emmons (HWE) reactions. The electrochemical and spectroscopic properties of these TTFV tweezers were investigated by UV-vis absorption spectroscopy, cyclic voltammetry, and spectro-electrochemical measurements. The property characterizations suggest potential application in electrochemically-actuated molecular switching devices. (C) 2010 Elsevier Ltd. All rights reserved.