3-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2,4-dioxopentan-3-ylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]pentane-2,4-dione | 1186011-36-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2,4-dioxopentan-3-ylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]pentane-2,4-dione
• 英文别名: 3-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2,4-dioxopentan-3-ylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]pentane-2,4-dione
• CAS: 1186011-36-8
• 化学式: C₁₈H₂₀O₄S₈
• 分子量: 556.882
• InChiKey: BVEJUBNIIFAQPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  271
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  3-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2,4-dioxopentan-3-ylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]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30%的产率得到5-((5-((2,2-difluoro-4,6-dimethyl-2H-1l3,3,2l4-dioxaborinin-5-yl)thio)-4',5'-bis(methylthio)-[2,2'-bi(1,3-dithiolylidene)]-4-yl)thio)-2,2-difluoro-4,6-dimethyl-2H-1l3,3,2l4-dioxaborinine
  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
• 作为产物：
  描述：

  3-氯-2,4-戊二酮 、 2,3-bis(2-cyanoethylthio)-6,7-bis(methylthio)tetrathiafulvelene 在 cesiumhydroxide monohydrate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以68%的产率得到3-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2,4-dioxopentan-3-ylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]pentane-2,4-dione
  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

• Tricarbonyl Mono- and Dinuclear Rhenium(I) Complexes with Redox-Active Bis(pyrazole)–Tetrathiafulvalene Ligands: Syntheses, Crystal Structures, and Properties
  作者：Jing Xiong、Wei Liu、Yong Wang、Long Cui、Yi-Zhi Li、Jing-Lin Zuo

  DOI：10.1021/om300159r

  日期：2012.5.28

  have been prepared and characterized. On the basis of the two ligands, three interesting rhenium(I) tricarbonyl mono- or dinuclear complexes, ClRe(CO)3(cis-L1) (1), [ClRe(CO)3(trans-L1)]2 (2), and [ClRe(CO)3(L2)]2 (3), have been prepared and structurally characterized. Electrochemical studies show sequential oxidation processes of the compounds to the corresponding radical cation and dication states

  两个新的双（3,5-二甲基吡唑）取代的四硫富瓦烯配体，2,6（7）-双（甲硫基）-3,7（6）-双（3-硫烷基-3,5-二甲基吡唑）四硫富富瓦烯（L 1）和2,3-双（甲硫基）-6,7-双（3-硫烷基-3,5-二甲基吡唑）四硫富瓦烯（L 2）的制备和表征。在两种配体的基础上，三个有趣的铼（I）三羰基的单或双核配合物，ClRe（CO）3（顺式-大号1）（1），[ClRe（CO）3（反式-大号1）] 2（2）和[ClRe（CO）3（L2）] 2（ 3），已经制备并进行了结构表征。电化学研究表明，化合物依次氧化成相应的自由基阳离子和阳离子状态，表明氧化还原事件主要取决于the（I）配合物的结构。结果证明了配合物1和2中TTF核之间的电子相互作用。几何和电子结构以及光谱特性为络合物1 - 3已经通过使用DFT和TDDFT计算调查。
• 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.