2-[4,5-Bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-dimethylidene-1,3-dithiolane | 352551-55-4

• 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: 2-[4,5-Bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-dimethylidene-1,3-dithiolane
• CAS: 352551-55-4
• 化学式: C₁₈H₂₆S₆
• 分子量: 434.8
• InChiKey: IGAJGVVDUAGXNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[4,5-Bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-dimethylidene-1,3-dithiolane 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 5,10-Bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]naphtho[2,3-f][1,3]benzodithiole
  参考文献：
  名称：

  A new strategy to reach highly extended and quinonoid tetrathiafulvalene (TTF) derivatives

  摘要：

  2,3-Bis(bromomethyl)TTFs 4 are used as precursors of 2,3-dimethylene-[2H]-TTFs 5 to reach cycloadducts of high synthetic interest via a [4+2] cycloaddition with quinonic derivatives. Subsequent Horner-Wadsworth-Emmons olefinations with a 1,3-dithiole phosphonate anion afforded highly extended and sulfur-rich analogs of tetrathiafulvalene 1. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01162-4
• 作为产物：
  描述：

  2,3-bis(bromomethyl)-6,7-bis(pentylsulfanyl)tetrathiafulvalene 在 magnesium 、 magnesium bromide 作用下， 以 四氢呋喃 为溶剂， 生成 2-[4,5-Bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-dimethylidene-1,3-dithiolane
  参考文献：
  名称：

  A new strategy to reach highly extended and quinonoid tetrathiafulvalene (TTF) derivatives

  摘要：

  2,3-Bis(bromomethyl)TTFs 4 are used as precursors of 2,3-dimethylene-[2H]-TTFs 5 to reach cycloadducts of high synthetic interest via a [4+2] cycloaddition with quinonic derivatives. Subsequent Horner-Wadsworth-Emmons olefinations with a 1,3-dithiole phosphonate anion afforded highly extended and sulfur-rich analogs of tetrathiafulvalene 1. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01162-4