3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-ditol-4-yl]thio)pentane-2,4-dione | 870813-95-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-ditol-4-yl]thio)pentane-2,4-dione
• 英文别名: 3-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]pentane-2,4-dione；3-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]pentane-2,4-dione
• CAS: 870813-95-9
• 化学式: C₁₄H₁₆O₂S₈
• 分子量: 472.808
• InChiKey: VEUIAQYHIWSVPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  237
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-ditol-4-yl]thio)pentane-2,4-dione 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以56%的产率得到
  参考文献：
  名称：

  Tetrathiafulvalenyl-acetylacetonate complexes of difluoroboron

  摘要：

  A series of tetrathiafulvalene (TTF) derivatives functionalized by one or two beta-diketonatoboron difluoride groups were synthesized through the addition of borontrifluoride to TTF Substituted by one or two acetylacetone functions. The influence of the beta-diketonatoboron difluoride moiety on the redox properties of the TTF has been investigated by cyclic voltammetry. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.041

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
• Electroactive Ligands:  The First Metal Complexes of Tetrathiafulvenyl−Acetylacetonate
  作者：Julien Massue、Nathalie Bellec、Stéphanie Chopin、Eric Levillain、Thierry Roisnel、Rodolphe Clérac、Dominique Lorcy

  DOI：10.1021/ic051017r

  日期：2005.11.1

  The reaction of tris(alkylthio)tetrathiafulvalene thiolates with 3-chloro-2,4-pentanedione affords tetrathiafulvalene (TTF) moieties substituted by the acetylacetone function (TTFSacacH), precursors of novel redox-active ligands: the acetylacetonate ions (TTFSacac). These TTFSacacHs have been characterized by X-ray diffraction analyses, and similar trends have been observed, such as a TTF core almost planar and the acetylacetone substituent located in a plane almost perpendicular to the plane formed by the TTF core. Their chelating ability has been demonstrated by the formation of the corresponding M(TTFSacac)(2)(pyridine)(2) complexes in the presence of M-II(OAc)(2)center dot H2O (M = Ni2+, Zn2+). These complexes with TTFSacac moieties, Ni(TTFSacac)(2)(pyridine)(2), 6b, and Zn(TTFSacac)(2)(pyridine)(2), 7b, have been characterized by X-ray diffraction analyses, showing in all structures the metal(II) center chelated by two TTFacac units in the equatorial plane and the octahedral coordination geometry around the metal completed by two axial pyridine ligands. Cyclic voltammetry and UV-visible-near infrared spectroscopic measurements have evidenced a sizable interaction between the two electroactive ligands and the stabilization of a mixed-valence state in the one-electron oxidized complexes.
• Tetrathiafulvalenyl-acetylacetonate complexes of difluoroboron
  作者：Michel Guerro、Thierry Roisnel、Dominique Lorcy

  DOI：10.1016/j.tet.2009.05.041

  日期：2009.8

  A series of tetrathiafulvalene (TTF) derivatives functionalized by one or two beta-diketonatoboron difluoride groups were synthesized through the addition of borontrifluoride to TTF Substituted by one or two acetylacetone functions. The influence of the beta-diketonatoboron difluoride moiety on the redox properties of the TTF has been investigated by cyclic voltammetry. (C) 2009 Elsevier Ltd. All rights reserved.