1-(4',5,5'-trimethyl-2,2'-bi-1,3-dithiol-4-yl)butane-2,4-dione | 1094040-52-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4',5,5'-trimethyl-2,2'-bi-1,3-dithiol-4-yl)butane-2,4-dione
• 英文别名: TTFSacacH；1-[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]butane-1,3-dione；1-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]butane-1,3-dione
• CAS: 1094040-52-4
• 化学式: C₁₃H₁₄O₂S₄
• 分子量: 330.517
• InChiKey: VCUCFEAJXIICIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4',5,5'-trimethyl-2,2'-bi-1,3-dithiol-4-yl)butane-2,4-dione 以 四氢呋喃 、 吡啶 、 甲醇 为溶剂， 生成 Zn(1-(4',5,5'-trimethyl-2,2'-bi-1,3-dithiol-4-yl)butane-2,4-dionate)2(C5H5N)2
  参考文献：
  名称：

  Chelating ability of a conjugated redox active tetrathiafulvalenyl-acetylacetonate ligand

  摘要：

  A novel tetrathiafulvalene (TTF) bearing a conjugated beta-diketone moiety (TTFacacH) has been synthesized and fully characterized. The chelating ability of its enolate anion (TTFacac) has been investigated with [M-II(OAc)(2)center dot xH(2)O](OAc = acetate and M = Zn, Cu and Ni) leading to complexes, where the metal center is coordinated by two TTFacac. Modulation of the redox properties of the TTF can be achieved through the simple change of the two apical ligands which completed the octahedral coordination geometry. This redox active ligand shows promising features for the elaboration of hybrid organic-inorganic building blocks. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.07.003

文献信息

• Synthesis, Substitution Kinetics, and Electrochemistry of the First Tetrathiafulvalene-Containing β-Diketonato Complexes of Rhodium(I)
  作者：Eleanor Fourie、Jannie C. Swarts、Dominique Lorcy、Nathalie Bellec

  DOI：10.1021/ic901676e

  日期：2010.2.1

  of 100 mV s−1. A RhII/RhI redox couple was observed at E°′ = 0.89 V for 3, after both TTF oxidations were completed, and at 0.51 V for 4; this is between the two TTF redox processes. The more difficult oxidation of the RhI center of 3 indicates more effective electron-withdrawing from the RhI center to the first-oxidized TTF+ group at the methine position of the β-diketonato ligand of 3+ than to the

  包含在次甲基位置（3位），[Rh（cod）（H 3 CCOC S-TTF-（MeS ）3 } COCH 3）]（3）或终点位置（1位），报告了[Rh（cod）（Me 3 -TTF）COCHCOCH 3 }]（4）。β-二酮基取代位置对含TTF的β-二酮基配体被3和4的1,10-菲咯啉取代以生成[Rh（cod）（phen）] +的动力学影响以及的电化学性质3和4，进行了调查。发现甲醇中的二阶取代速率常数k 2几乎与取代位置无关，其中4（k 2 = 2.09×10 3 dm 3 mol -1 s -1）的反应速度几乎是3的两倍。。仅在k s = 42 s -1的4个中观察到替代机制中的可观溶剂途径。提出了两个取代反应的完整机理。CH 2中3和4的电化学Cl 2 /0.10 mol dm -3 [N（n Bu）4 ] [B（C 6 F 5）4 ]显示出三个氧化还原过程。这些中的两个是电化学可