4,5-ethylenedioxy-2,2'-ethanediylidenebis(1,3-dithiole) | 1245640-91-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶英
• 英文名称: 4,5-ethylenedioxy-2,2'-ethanediylidenebis(1,3-dithiole)
• 英文别名: EDO-EBDT；2-[2-(1,3-Dithiol-2-ylidene)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxine；2-[2-(1,3-dithiol-2-ylidene)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxine
• CAS: 1245640-91-8
• 化学式: C₁₀H₈O₂S₄
• 分子量: 288.436
• InChiKey: VESAPLHUXRMSLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4,5-bis(methoxycarbonyl)-4',5'-ethylenedioxy-2,2'-ethanediylidenebis(1,3-dithiole) 在 lithium bromide monohydrate 作用下， 以 六甲基磷酰三胺 为溶剂， 反应 2.0h， 以71%的产率得到4,5-ethylenedioxy-2,2'-ethanediylidenebis(1,3-dithiole)
  参考文献：
  名称：

  插藤EDO-TTFs的合成、结构和性质

  摘要：

  我们合成了插烯 4,5-ethylenedioxy-tetrathiafulvalenes (EDO-TTFs), 4,5-ethylenedioxy-2,2'-ethanediylidenebis(1,3-dithiole) (EDO-EBDT), 4,5-dimethyl-4', 5'-ethylenedioxy-2,2'-ethanediylidene-bis(1,3-dithiole) (DMEDO-EBDT), 4,5-bis(thiomethyl)-4',5'-ethylenedioxy-2,2'-ethanediylidenebis ( 1,3-dithiole) (BTMEDO-EBDT) 和 4,5-bis(methoxycarbonyl)-4',5'-ethylenedioxy-2,2'-ethanediylide-nebis(1,3-dithiole) (BMCEDO-EBDT)

  DOI：

  10.1016/j.physb.2009.12.024

文献信息

• Syntheses, structure and properties of vinylogous EDO-TTFs
  作者：T. Shirahata、T. Morikawa、H. Miyamoto、Y. Nakano、H. Yamochi、Y. Misaki

  DOI：10.1016/j.physb.2009.12.024

  日期：2010.6

  the dication state. X-ray crystal structure analysis of BMCEDO-EBDT reveals that the inter-molecular C-H···O type hydrogen bond is constructed between the hydrogen atom and the oxygen atom of the ethylenedioxy group. Single crystalline TCNQ complexes of DMEDO-EBDT and BTMEDO-EBDT have been prepared and their conducting properties and crystal structure have been investigated. The TCNQ complexes of DMEDO-EBDT

  我们合成了插烯 4,5-ethylenedioxy-tetrathiafulvalenes (EDO-TTFs), 4,5-ethylenedioxy-2,2'-ethanediylidenebis(1,3-dithiole) (EDO-EBDT), 4,5-dimethyl-4', 5'-ethylenedioxy-2,2'-ethanediylidene-bis(1,3-dithiole) (DMEDO-EBDT), 4,5-bis(thiomethyl)-4',5'-ethylenedioxy-2,2'-ethanediylidenebis ( 1,3-dithiole) (BTMEDO-EBDT) 和 4,5-bis(methoxycarbonyl)-4',5'-ethylenedioxy-2,2'-ethanediylide-nebis(1,3-dithiole) (BMCEDO-EBDT)