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 | 1260511-14-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 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
• 英文别名: 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
• CAS: 1260511-14-5
• 化学式: C₇₆H₅₈S₂₄
• 分子量: 1740.88
• InChiKey: XKLHHKRTZBFJKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.5
• 重原子数：
  100
• 可旋转键数：
  19
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  607
• 氢给体数：
  0
• 氢受体数：
  24

反应信息

• 作为产物：
  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

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.