4,5-ethylenedioxy-3'-(3'-pyridyl)-tetrathiafulvalene | 1382481-82-4

• 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-3'-(3'-pyridyl)-tetrathiafulvalene
• 英文别名: 3-[2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-1,3-dithiol-4-yl]pyridine；3-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-1,3-dithiol-4-yl]pyridine
• CAS: 1382481-82-4
• 化学式: C₁₃H₉NO₂S₄
• 分子量: 339.484
• InChiKey: GPEVEJBZGJJQND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  乙酰丙酮锌 、 4,5-ethylenedioxy-3'-(3'-pyridyl)-tetrathiafulvalene 以 二氯甲烷 为溶剂， 反应 0.5h， 以21.11%的产率得到[Zn(acetylacetonate)2(4,5-ethylenedioxy-3'-(3'-pyridyl)-tetrathiafulvalene)2]
  参考文献：
  名称：

  Syntheses, Crystal Structure, and Properties of Cu(II) and Zn(II) Complexes with EDO-TTF-3-py

  摘要：

  The syntheses, crystal structures, and electrochemical of the transition metal coordination complexes, Cu(acac)(2)(EDO-TTF-3-py)(2) (2) and Zn(acac)(2)(EDO-TTF-3-py)(2) (3) are reported, where acac = acetylacetonate; EDO-TTF-3-py (L1) = 4,5-ethylenedioxy-3-(3-pyridyl)-tetrathiafulvalene). In the complexes 2 and 3, the ligand L1 is coordinated to the metal atom through pyridine nitrogen. The similarly oxidation potentials were observed for the ligand L1 and 2 and 3, indicating the negligible interaction between the ligand and the metal in solution.

  DOI：

  10.1080/15533174.2013.768643

文献信息

• Nickel(II) and zinc(II) complexes of a pyridine ligand bearing a tetrathiafulvalene substituent
  作者：Xun-wen Xiao、Yan-jun He、Li-wen Sun、Guan-nan Wang、Liang-jun Shen、Jiang-hua Fang、Hao-qi Gao、Jian-ping Yang

  DOI：10.1007/s11243-012-9650-z

  日期：2012.11

  structures, and electrochemical properties of the coordination complexes, NiBr2(ept)2 and ZnBr2(ept)2 (ept = 4,5-ethylenedioxy-3′-(3′-pyridyl)-tetrathiafulvalene) are reported. Both complexes are mononuclear, with monodentate coordination of the ept ligand through the pyridine nitrogen. Cyclic voltammetry measurements for both complexes show a sizable interaction involving the electroactive ept ligand

  报道了配位配合物 NiBr2(ept)2 和 ZnBr2(ept)2（ept = 4,5-亚乙基二氧基-3'-(3'-吡啶基)-四硫富瓦烯）的合成、晶体结构和电化学性质。两种配合物都是单核的，具有通过吡啶氮的 ept 配体的单齿配位。两种配合物的循环伏安法测量表明，涉及电活性 ept 配体的相当大的相互作用，稳定了配合物的氧化形式。
• Syntheses, Crystal Structure, and Properties of Cu(II) and Zn(II) Complexes with EDO-TTF-3-py
  作者：Liwen Sun、Xunwen Xiao、Yanjun He、Guannan Wang、Liangjun Shen、Jianghua Fang、Jiangping Yang、Xing Li

  DOI：10.1080/15533174.2013.768643

  日期：2014.1.2

  The syntheses, crystal structures, and electrochemical of the transition metal coordination complexes, Cu(acac)(2)(EDO-TTF-3-py)(2) (2) and Zn(acac)(2)(EDO-TTF-3-py)(2) (3) are reported, where acac = acetylacetonate; EDO-TTF-3-py (L1) = 4,5-ethylenedioxy-3-(3-pyridyl)-tetrathiafulvalene). In the complexes 2 and 3, the ligand L1 is coordinated to the metal atom through pyridine nitrogen. The similarly oxidation potentials were observed for the ligand L1 and 2 and 3, indicating the negligible interaction between the ligand and the metal in solution.